3-butyl-2-thiophen-2-ylpyrrolo[1,2-a]indol-1-one

C19H17NOS — CID 102359581

IUPAC3-butyl-2-thiophen-2-ylpyrrolo[1,2-a]indol-1-one
SMILESCCCCC1=C(c2cccs2)C(=O)n2c1cc1ccccc12
InChIInChI=1S/C19H17NOS/c1-2-3-8-14-16-12-13-7-4-5-9-15(13)20(16)19(21)18(14)17-10-6-11-22-17/h4-7,9-12H,2-3,8H2,1H3
InChIKeyZHIAJJYMJCZEKF-UHFFFAOYSA-N
MW307.42 g/mol
LogP5.46
Rot. Bonds4

About 3-butyl-2-thiophen-2-ylpyrrolo[1,2-a]indol-1-one

3-butyl-2-thiophen-2-ylpyrrolo[1,2-a]indol-1-one (PubChem CID 102359581) has the molecular formula C19H17NOS and a molecular weight of 307.42 g/mol. Its IUPAC name is 3-butyl-2-thiophen-2-ylpyrrolo[1,2-a]indol-1-one.

Molecular Properties

Compound Name3-butyl-2-thiophen-2-ylpyrrolo[1,2-a]indol-1-one
PubChem CID102359581
Molecular FormulaC19H17NOS
Molecular Weight307.42 g/mol
Exact Mass307.10
IUPAC Name3-butyl-2-thiophen-2-ylpyrrolo[1,2-a]indol-1-one
SMILESCCCCC1=C(c2cccs2)C(=O)n2c1cc1ccccc12
InChIInChI=1S/C19H17NOS/c1-2-3-8-14-16-12-13-7-4-5-9-15(13)20(16)19(21)18(14)17-10-6-11-22-17/h4-7,9-12H,2-3,8H2,1H3
InChIKeyZHIAJJYMJCZEKF-UHFFFAOYSA-N
XLogP5.46
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500307.42
LogP ≤ 55.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-butyl-2-thiophen-2-ylpyrrolo[1,2-a]indol-1-one?
The IUPAC name of 3-butyl-2-thiophen-2-ylpyrrolo[1,2-a]indol-1-one (CID 102359581) is 3-butyl-2-thiophen-2-ylpyrrolo[1,2-a]indol-1-one.
What is the SMILES notation for 3-butyl-2-thiophen-2-ylpyrrolo[1,2-a]indol-1-one?
The canonical SMILES for 3-butyl-2-thiophen-2-ylpyrrolo[1,2-a]indol-1-one is CCCCC1=C(c2cccs2)C(=O)n2c1cc1ccccc12.
What is the InChIKey of 3-butyl-2-thiophen-2-ylpyrrolo[1,2-a]indol-1-one?
The InChIKey is ZHIAJJYMJCZEKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NOS/c1-2-3-8-14-16-12-13-7-4-5-9-15(13)20(16)19(21)18(14)17-10-6-11-22-17/h4-7,9-12H,2-3,8H2,1H3.
What are the key properties of 3-butyl-2-thiophen-2-ylpyrrolo[1,2-a]indol-1-one?
3-butyl-2-thiophen-2-ylpyrrolo[1,2-a]indol-1-one has a molecular weight of 307.42 g/mol, XLogP of 5.46, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-2-thiophen-2-ylpyrrolo[1,2-a]indol-1-one is sourced from PubChem (CID 102359581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).