(3R)-8-(furan-2-yl)-5'-methylspiro[2,4-dihydro-1H-naphthalene-3,2'-3,4-dihydropyrrole];(3R)-5'-methyl-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,2'-3,4-dihydropyrrole];(3R)-3'-methyl-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,5'-4H-imidazole];(3S)-3'-methyl-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,5'-4H-imidazole];(3R)-5'-methyl-8-thiophen-3-ylspiro[2,4-dihydro-1H-naphthalene-3,2'-3,4-dihydropyrrole]

C88H93N13OS — CID 158024496

About (3R)-8-(furan-2-yl)-5'-methylspiro[2,4-dihydro-1H-naphthalene-3,2'-3,4-dihydropyrrole];(3R)-5'-methyl-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,2'-3,4-dihydropyrrole];(3R)-3'-methyl-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,5'-4H-imidazole];(3S)-3'-methyl-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,5'-4H-imidazole];(3R)-5'-methyl-8-thiophen-3-ylspiro[2,4-dihydro-1H-naphthalene-3,2'-3,4-dihydropyrrole]

(3R)-8-(furan-2-yl)-5'-methylspiro[2,4-dihydro-1H-naphthalene-3,2'-3,4-dihydropyrrole];(3R)-5'-methyl-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,2'-3,4-dihydropyrrole];(3R)-3'-methyl-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,5'-4H-imidazole];(3S)-3'-methyl-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,5'-4H-imidazole];(3R)-5'-methyl-8-thiophen-3-ylspiro[2,4-dihydro-1H-naphthalene-3,2'-3,4-dihydropyrrole] (PubChem CID 158024496) has the molecular formula C88H93N13OS and a molecular weight of 1380.87 g/mol. Its IUPAC name is (3R)-8-(furan-2-yl)-5'-methylspiro[2,4-dihydro-1H-naphthalene-3,2'-3,4-dihydropyrrole];(3R)-5'-methyl-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,2'-3,4-dihydropyrrole];(3R)-3'-methyl-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,5'-4H-imidazole];(3S)-3'-methyl-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,5'-4H-imidazole];(3R)-5'-methyl-8-thiophen-3-ylspiro[2,4-dihydro-1H-naphthalene-3,2'-3,4-dihydropyrrole].

Molecular Properties

• Compound Name: (3R)-8-(furan-2-yl)-5'-methylspiro[2,4-dihydro-1H-naphthalene-3,2'-3,4-dihydropyrrole];(3R)-5'-methyl-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,2'-3,4-dihydropyrrole];(3R)-3'-methyl-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,5'-4H-imidazole];(3S)-3'-methyl-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,5'-4H-imidazole];(3R)-5'-methyl-8-thiophen-3-ylspiro[2,4-dihydro-1H-naphthalene-3,2'-3,4-dihydropyrrole]
• PubChem CID: 158024496
• Molecular Formula: C88H93N13OS
• Molecular Weight: 1380.87 g/mol
• Exact Mass: 1379.73
• IUPAC Name: (3R)-8-(furan-2-yl)-5'-methylspiro[2,4-dihydro-1H-naphthalene-3,2'-3,4-dihydropyrrole];(3R)-5'-methyl-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,2'-3,4-dihydropyrrole];(3R)-3'-methyl-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,5'-4H-imidazole];(3S)-3'-methyl-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,5'-4H-imidazole];(3R)-5'-methyl-8-thiophen-3-ylspiro[2,4-dihydro-1H-naphthalene-3,2'-3,4-dihydropyrrole]
• SMILES: CC1=N[C@@]2(CC1)CCc1c(cccc1-c1ccco1)C2.CC1=N[C@@]2(CC1)CCc1c(cccc1-c1ccsc1)C2.CC1=N[C@@]2(CC1)CCc1c(cccc1-c1cncnc1)C2.CN1C=N[C@@]2(CCc3c(cccc3-c3cncnc3)C2)C1.CN1C=N[C@]2(CCc3c(cccc3-c3cncnc3)C2)C1
• InChI: InChI=1S/C18H19N3.C18H19NO.C18H19NS.2C17H18N4/c1-13-5-7-18(21-13)8-6-17-14(9-18)3-2-4-16(17)15-10-19-12-20-11-15;1-13-7-9-18(19-13)10-8-15-14(12-18)4-2-5-16(15)17-6-3-11-20-17;1-13-5-8-18(19-13)9-6-17-14(11-18)3-2-4-16(17)15-7-10-20-12-15;2*1-21-10-17(20-12-21)6-5-16-13(7-17)3-2-4-15(16)14-8-18-11-19-9-14/h2-4,10-12H,5-9H2,1H3;2-6,11H,7-10,12H2,1H3;2-4,7,10,12H,5-6,8-9,11H2,1H3;2*2-4,8-9,11-12H,5-7,10H2,1H3/t3*18-;2*17-/m00010/s1
• InChIKey: FGLFKHGGMBFYCH-CDUCNTGGSA-N
• XLogP: 17.64
• TPSA: 158.76 Ų
• H-Bond Acceptors: 15
• Rotatable Bonds: 5
• Heavy Atoms: 103
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1380.87
LogP ≤ 5	17.64
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

What is the IUPAC name of (3R)-8-(furan-2-yl)-5'-methylspiro[2,4-dihydro-1H-naphthalene-3,2'-3,4-dihydropyrrole];(3R)-5'-methyl-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,2'-3,4-dihydropyrrole];(3R)-3'-methyl-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,5'-4H-imidazole];(3S)-3'-methyl-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,5'-4H-imidazole];(3R)-5'-methyl-8-thiophen-3-ylspiro[2,4-dihydro-1H-naphthalene-3,2'-3,4-dihydropyrrole]?

The IUPAC name of (3R)-8-(furan-2-yl)-5'-methylspiro[2,4-dihydro-1H-naphthalene-3,2'-3,4-dihydropyrrole];(3R)-5'-methyl-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,2'-3,4-dihydropyrrole];(3R)-3'-methyl-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,5'-4H-imidazole];(3S)-3'-methyl-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,5'-4H-imidazole];(3R)-5'-methyl-8-thiophen-3-ylspiro[2,4-dihydro-1H-naphthalene-3,2'-3,4-dihydropyrrole] (CID 158024496) is (3R)-8-(furan-2-yl)-5'-methylspiro[2,4-dihydro-1H-naphthalene-3,2'-3,4-dihydropyrrole];(3R)-5'-methyl-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,2'-3,4-dihydropyrrole];(3R)-3'-methyl-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,5'-4H-imidazole];(3S)-3'-methyl-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,5'-4H-imidazole];(3R)-5'-methyl-8-thiophen-3-ylspiro[2,4-dihydro-1H-naphthalene-3,2'-3,4-dihydropyrrole].

What is the SMILES notation for (3R)-8-(furan-2-yl)-5'-methylspiro[2,4-dihydro-1H-naphthalene-3,2'-3,4-dihydropyrrole];(3R)-5'-methyl-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,2'-3,4-dihydropyrrole];(3R)-3'-methyl-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,5'-4H-imidazole];(3S)-3'-methyl-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,5'-4H-imidazole];(3R)-5'-methyl-8-thiophen-3-ylspiro[2,4-dihydro-1H-naphthalene-3,2'-3,4-dihydropyrrole]?

The canonical SMILES for (3R)-8-(furan-2-yl)-5'-methylspiro[2,4-dihydro-1H-naphthalene-3,2'-3,4-dihydropyrrole];(3R)-5'-methyl-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,2'-3,4-dihydropyrrole];(3R)-3'-methyl-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,5'-4H-imidazole];(3S)-3'-methyl-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,5'-4H-imidazole];(3R)-5'-methyl-8-thiophen-3-ylspiro[2,4-dihydro-1H-naphthalene-3,2'-3,4-dihydropyrrole] is CC1=N[C@@]2(CC1)CCc1c(cccc1-c1ccco1)C2.CC1=N[C@@]2(CC1)CCc1c(cccc1-c1ccsc1)C2.CC1=N[C@@]2(CC1)CCc1c(cccc1-c1cncnc1)C2.CN1C=N[C@@]2(CCc3c(cccc3-c3cncnc3)C2)C1.CN1C=N[C@]2(CCc3c(cccc3-c3cncnc3)C2)C1.

What is the InChIKey of (3R)-8-(furan-2-yl)-5'-methylspiro[2,4-dihydro-1H-naphthalene-3,2'-3,4-dihydropyrrole];(3R)-5'-methyl-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,2'-3,4-dihydropyrrole];(3R)-3'-methyl-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,5'-4H-imidazole];(3S)-3'-methyl-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,5'-4H-imidazole];(3R)-5'-methyl-8-thiophen-3-ylspiro[2,4-dihydro-1H-naphthalene-3,2'-3,4-dihydropyrrole]?

The InChIKey is FGLFKHGGMBFYCH-CDUCNTGGSA-N. The full InChI is InChI=1S/C18H19N3.C18H19NO.C18H19NS.2C17H18N4/c1-13-5-7-18(21-13)8-6-17-14(9-18)3-2-4-16(17)15-10-19-12-20-11-15;1-13-7-9-18(19-13)10-8-15-14(12-18)4-2-5-16(15)17-6-3-11-20-17;1-13-5-8-18(19-13)9-6-17-14(11-18)3-2-4-16(17)15-7-10-20-12-15;2*1-21-10-17(20-12-21)6-5-16-13(7-17)3-2-4-15(16)14-8-18-11-19-9-14/h2-4,10-12H,5-9H2,1H3;2-6,11H,7-10,12H2,1H3;2-4,7,10,12H,5-6,8-9,11H2,1H3;2*2-4,8-9,11-12H,5-7,10H2,1H3/t3*18-;2*17-/m00010/s1.

What are the key properties of (3R)-8-(furan-2-yl)-5'-methylspiro[2,4-dihydro-1H-naphthalene-3,2'-3,4-dihydropyrrole];(3R)-5'-methyl-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,2'-3,4-dihydropyrrole];(3R)-3'-methyl-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,5'-4H-imidazole];(3S)-3'-methyl-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,5'-4H-imidazole];(3R)-5'-methyl-8-thiophen-3-ylspiro[2,4-dihydro-1H-naphthalene-3,2'-3,4-dihydropyrrole]?

(3R)-8-(furan-2-yl)-5'-methylspiro[2,4-dihydro-1H-naphthalene-3,2'-3,4-dihydropyrrole];(3R)-5'-methyl-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,2'-3,4-dihydropyrrole];(3R)-3'-methyl-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,5'-4H-imidazole];(3S)-3'-methyl-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,5'-4H-imidazole];(3R)-5'-methyl-8-thiophen-3-ylspiro[2,4-dihydro-1H-naphthalene-3,2'-3,4-dihydropyrrole] has a molecular weight of 1380.87 g/mol, XLogP of 17.64, 5 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for (3R)-8-(furan-2-yl)-5'-methylspiro[2,4-dihydro-1H-naphthalene-3,2'-3,4-dihydropyrrole];(3R)-5'-methyl-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,2'-3,4-dihydropyrrole];(3R)-3'-methyl-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,5'-4H-imidazole];(3S)-3'-methyl-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,5'-4H-imidazole];(3R)-5'-methyl-8-thiophen-3-ylspiro[2,4-dihydro-1H-naphthalene-3,2'-3,4-dihydropyrrole] is sourced from PubChem (CID 158024496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).