8-thiophen-2-ylspiro[2,4-dihydro-1H-naphthalene-3,2'-3,4-dihydropyrrole]

C17H17NS — CID 58466699

IUPAC8-thiophen-2-ylspiro[2,4-dihydro-1H-naphthalene-3,2'-3,4-dihydropyrrole]
SMILESC1=NC2(CC1)CCc1c(cccc1-c1cccs1)C2
InChIInChI=1S/C17H17NS/c1-4-13-12-17(8-3-10-18-17)9-7-14(13)15(5-1)16-6-2-11-19-16/h1-2,4-6,10-11H,3,7-9,12H2
InChIKeyIOVOLAVPLALVDR-UHFFFAOYSA-N
MW267.40 g/mol
LogP4.51
Rot. Bonds1

About 8-thiophen-2-ylspiro[2,4-dihydro-1H-naphthalene-3,2'-3,4-dihydropyrrole]

8-thiophen-2-ylspiro[2,4-dihydro-1H-naphthalene-3,2'-3,4-dihydropyrrole] (PubChem CID 58466699) has the molecular formula C17H17NS and a molecular weight of 267.40 g/mol. Its IUPAC name is 8-thiophen-2-ylspiro[2,4-dihydro-1H-naphthalene-3,2'-3,4-dihydropyrrole].

Molecular Properties

Compound Name8-thiophen-2-ylspiro[2,4-dihydro-1H-naphthalene-3,2'-3,4-dihydropyrrole]
PubChem CID58466699
Molecular FormulaC17H17NS
Molecular Weight267.40 g/mol
Exact Mass267.11
IUPAC Name8-thiophen-2-ylspiro[2,4-dihydro-1H-naphthalene-3,2'-3,4-dihydropyrrole]
SMILESC1=NC2(CC1)CCc1c(cccc1-c1cccs1)C2
InChIInChI=1S/C17H17NS/c1-4-13-12-17(8-3-10-18-17)9-7-14(13)15(5-1)16-6-2-11-19-16/h1-2,4-6,10-11H,3,7-9,12H2
InChIKeyIOVOLAVPLALVDR-UHFFFAOYSA-N
XLogP4.51
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.40
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-thiophen-2-ylspiro[2,4-dihydro-1H-naphthalene-3,2'-3,4-dihydropyrrole]?
The IUPAC name of 8-thiophen-2-ylspiro[2,4-dihydro-1H-naphthalene-3,2'-3,4-dihydropyrrole] (CID 58466699) is 8-thiophen-2-ylspiro[2,4-dihydro-1H-naphthalene-3,2'-3,4-dihydropyrrole].
What is the SMILES notation for 8-thiophen-2-ylspiro[2,4-dihydro-1H-naphthalene-3,2'-3,4-dihydropyrrole]?
The canonical SMILES for 8-thiophen-2-ylspiro[2,4-dihydro-1H-naphthalene-3,2'-3,4-dihydropyrrole] is C1=NC2(CC1)CCc1c(cccc1-c1cccs1)C2.
What is the InChIKey of 8-thiophen-2-ylspiro[2,4-dihydro-1H-naphthalene-3,2'-3,4-dihydropyrrole]?
The InChIKey is IOVOLAVPLALVDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NS/c1-4-13-12-17(8-3-10-18-17)9-7-14(13)15(5-1)16-6-2-11-19-16/h1-2,4-6,10-11H,3,7-9,12H2.
What are the key properties of 8-thiophen-2-ylspiro[2,4-dihydro-1H-naphthalene-3,2'-3,4-dihydropyrrole]?
8-thiophen-2-ylspiro[2,4-dihydro-1H-naphthalene-3,2'-3,4-dihydropyrrole] has a molecular weight of 267.40 g/mol, XLogP of 4.51, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-thiophen-2-ylspiro[2,4-dihydro-1H-naphthalene-3,2'-3,4-dihydropyrrole] is sourced from PubChem (CID 58466699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).