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

C17H17NS — CID 58466683

IUPAC6-thiophen-3-ylspiro[2,4-dihydro-1H-naphthalene-3,2'-3,4-dihydropyrrole]
SMILESC1=NC2(CC1)CCc1ccc(-c3ccsc3)cc1C2
InChIInChI=1S/C17H17NS/c1-6-17(18-8-1)7-4-13-2-3-14(10-16(13)11-17)15-5-9-19-12-15/h2-3,5,8-10,12H,1,4,6-7,11H2
InChIKeyFGIBTZJXTZDVMM-UHFFFAOYSA-N
MW267.40 g/mol
LogP4.51
Rot. Bonds1

About 6-thiophen-3-ylspiro[2,4-dihydro-1H-naphthalene-3,2'-3,4-dihydropyrrole]

6-thiophen-3-ylspiro[2,4-dihydro-1H-naphthalene-3,2'-3,4-dihydropyrrole] (PubChem CID 58466683) has the molecular formula C17H17NS and a molecular weight of 267.40 g/mol. Its IUPAC name is 6-thiophen-3-ylspiro[2,4-dihydro-1H-naphthalene-3,2'-3,4-dihydropyrrole].

Molecular Properties

Compound Name6-thiophen-3-ylspiro[2,4-dihydro-1H-naphthalene-3,2'-3,4-dihydropyrrole]
PubChem CID58466683
Molecular FormulaC17H17NS
Molecular Weight267.40 g/mol
Exact Mass267.11
IUPAC Name6-thiophen-3-ylspiro[2,4-dihydro-1H-naphthalene-3,2'-3,4-dihydropyrrole]
SMILESC1=NC2(CC1)CCc1ccc(-c3ccsc3)cc1C2
InChIInChI=1S/C17H17NS/c1-6-17(18-8-1)7-4-13-2-3-14(10-16(13)11-17)15-5-9-19-12-15/h2-3,5,8-10,12H,1,4,6-7,11H2
InChIKeyFGIBTZJXTZDVMM-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 6-thiophen-3-ylspiro[2,4-dihydro-1H-naphthalene-3,2'-3,4-dihydropyrrole]?
The IUPAC name of 6-thiophen-3-ylspiro[2,4-dihydro-1H-naphthalene-3,2'-3,4-dihydropyrrole] (CID 58466683) is 6-thiophen-3-ylspiro[2,4-dihydro-1H-naphthalene-3,2'-3,4-dihydropyrrole].
What is the SMILES notation for 6-thiophen-3-ylspiro[2,4-dihydro-1H-naphthalene-3,2'-3,4-dihydropyrrole]?
The canonical SMILES for 6-thiophen-3-ylspiro[2,4-dihydro-1H-naphthalene-3,2'-3,4-dihydropyrrole] is C1=NC2(CC1)CCc1ccc(-c3ccsc3)cc1C2.
What is the InChIKey of 6-thiophen-3-ylspiro[2,4-dihydro-1H-naphthalene-3,2'-3,4-dihydropyrrole]?
The InChIKey is FGIBTZJXTZDVMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NS/c1-6-17(18-8-1)7-4-13-2-3-14(10-16(13)11-17)15-5-9-19-12-15/h2-3,5,8-10,12H,1,4,6-7,11H2.
What are the key properties of 6-thiophen-3-ylspiro[2,4-dihydro-1H-naphthalene-3,2'-3,4-dihydropyrrole]?
6-thiophen-3-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 6-thiophen-3-ylspiro[2,4-dihydro-1H-naphthalene-3,2'-3,4-dihydropyrrole] is sourced from PubChem (CID 58466683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).