(7-amino-2,3-dihydroindol-1-yl)-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)methanone

C16H16N2OS — CID 114455584

IUPAC(7-amino-2,3-dihydroindol-1-yl)-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)methanone
SMILESNc1cccc2c1N(C(=O)c1cc3c(s1)CCC3)CC2
InChIInChI=1S/C16H16N2OS/c17-12-5-1-3-10-7-8-18(15(10)12)16(19)14-9-11-4-2-6-13(11)20-14/h1,3,5,9H,2,4,6-8,17H2
InChIKeyIZBKVNANAQHIBW-UHFFFAOYSA-N
MW284.38 g/mol
LogP3.02
Rot. Bonds1

About (7-amino-2,3-dihydroindol-1-yl)-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)methanone

(7-amino-2,3-dihydroindol-1-yl)-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)methanone (PubChem CID 114455584) has the molecular formula C16H16N2OS and a molecular weight of 284.38 g/mol. Its IUPAC name is (7-amino-2,3-dihydroindol-1-yl)-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)methanone.

Molecular Properties

Compound Name(7-amino-2,3-dihydroindol-1-yl)-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)methanone
PubChem CID114455584
Molecular FormulaC16H16N2OS
Molecular Weight284.38 g/mol
Exact Mass284.10
IUPAC Name(7-amino-2,3-dihydroindol-1-yl)-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)methanone
SMILESNc1cccc2c1N(C(=O)c1cc3c(s1)CCC3)CC2
InChIInChI=1S/C16H16N2OS/c17-12-5-1-3-10-7-8-18(15(10)12)16(19)14-9-11-4-2-6-13(11)20-14/h1,3,5,9H,2,4,6-8,17H2
InChIKeyIZBKVNANAQHIBW-UHFFFAOYSA-N
XLogP3.02
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze (7-amino-2,3-dihydroindol-1-yl)-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(7-amino-2,3-dihydroindol-1-yl)-thiophen-2-ylmethanone
CID 114455754
(7-amino-2,3-dihydroindol-1-yl)-(3-hydroxyphenyl)methanone
CID 114455702
(7-amino-2,3-dihydroindol-1-yl)-pyrrolidin-1-ylmethanone
CID 114455948
(7-amino-2,3-dihydroindol-1-yl)-(3-bromothiophen-2-yl)methanone
CID 114455880
5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl(pyrrolidin-1-yl)methanone
CID 60644343
(7-amino-2,3-dihydroindol-1-yl)-(2,4,6-trifluorophenyl)methanone
CID 114455780
(8-amino-3,4-dihydro-2H-quinolin-1-yl)-(furan-2-yl)methanone
CID 82084861
(7-amino-2,3-dihydroindol-1-yl)-(2-fluorophenyl)methanone
CID 114455598
[4-(5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonyl)-1,4-diazepan-1-yl]-phenylmethanone
CID 37439394
(7-amino-2,3-dihydroindol-1-yl)-(4-chloro-1H-pyrrol-2-yl)methanone
CID 114455897
phenyl-[4-(4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl)piperazin-1-yl]methanone
CID 7792036
(7-amino-2,3-dihydroindol-1-yl)-(2-bromo-3-fluorophenyl)methanone
CID 114455629

Frequently Asked Questions

What is the IUPAC name of (7-amino-2,3-dihydroindol-1-yl)-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)methanone?
The IUPAC name of (7-amino-2,3-dihydroindol-1-yl)-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)methanone (CID 114455584) is (7-amino-2,3-dihydroindol-1-yl)-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)methanone.
What is the SMILES notation for (7-amino-2,3-dihydroindol-1-yl)-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)methanone?
The canonical SMILES for (7-amino-2,3-dihydroindol-1-yl)-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)methanone is Nc1cccc2c1N(C(=O)c1cc3c(s1)CCC3)CC2.
What is the InChIKey of (7-amino-2,3-dihydroindol-1-yl)-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)methanone?
The InChIKey is IZBKVNANAQHIBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2OS/c17-12-5-1-3-10-7-8-18(15(10)12)16(19)14-9-11-4-2-6-13(11)20-14/h1,3,5,9H,2,4,6-8,17H2.
What are the key properties of (7-amino-2,3-dihydroindol-1-yl)-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)methanone?
(7-amino-2,3-dihydroindol-1-yl)-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)methanone has a molecular weight of 284.38 g/mol, XLogP of 3.02, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7-amino-2,3-dihydroindol-1-yl)-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)methanone is sourced from PubChem (CID 114455584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).