(7-amino-2,3-dihydroindol-1-yl)-thiophen-2-ylmethanone

C13H12N2OS — CID 114455754

IUPAC(7-amino-2,3-dihydroindol-1-yl)-thiophen-2-ylmethanone
SMILESNc1cccc2c1N(C(=O)c1cccs1)CC2
InChIInChI=1S/C13H12N2OS/c14-10-4-1-3-9-6-7-15(12(9)10)13(16)11-5-2-8-17-11/h1-5,8H,6-7,14H2
InChIKeyCOFFIEATFQUKDA-UHFFFAOYSA-N
MW244.32 g/mol
LogP2.53
Rot. Bonds1

About (7-amino-2,3-dihydroindol-1-yl)-thiophen-2-ylmethanone

(7-amino-2,3-dihydroindol-1-yl)-thiophen-2-ylmethanone (PubChem CID 114455754) has the molecular formula C13H12N2OS and a molecular weight of 244.32 g/mol. Its IUPAC name is (7-amino-2,3-dihydroindol-1-yl)-thiophen-2-ylmethanone.

Molecular Properties

Compound Name(7-amino-2,3-dihydroindol-1-yl)-thiophen-2-ylmethanone
PubChem CID114455754
Molecular FormulaC13H12N2OS
Molecular Weight244.32 g/mol
Exact Mass244.07
IUPAC Name(7-amino-2,3-dihydroindol-1-yl)-thiophen-2-ylmethanone
SMILESNc1cccc2c1N(C(=O)c1cccs1)CC2
InChIInChI=1S/C13H12N2OS/c14-10-4-1-3-9-6-7-15(12(9)10)13(16)11-5-2-8-17-11/h1-5,8H,6-7,14H2
InChIKeyCOFFIEATFQUKDA-UHFFFAOYSA-N
XLogP2.53
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.32
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(7-amino-2,3-dihydroindol-1-yl)-(3-bromothiophen-2-yl)methanone
CID 114455880
(7-amino-2,3-dihydroindol-1-yl)-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)methanone
CID 114455584
(7-amino-2,3-dihydroindol-1-yl)-pyrrolidin-1-ylmethanone
CID 114455948
(7-amino-2,3-dihydroindol-1-yl)-(2,4,6-trifluorophenyl)methanone
CID 114455780
(7-amino-2,3-dihydroindol-1-yl)-(2-bromo-3-fluorophenyl)methanone
CID 114455629
(7-amino-2,3-dihydroindol-1-yl)-(4-chloro-1H-pyrrol-2-yl)methanone
CID 114455897
(7-amino-2,3-dihydroindol-1-yl)-(3-hydroxy-4-pyridinyl)methanone
CID 114455888
1-(7-amino-2,3-dihydroindol-1-yl)-3,3-dimethylbutan-1-one
CID 114455603
(7-amino-2,3-dihydroindol-1-yl)-[4-(4-fluorophenoxy)phenyl]methanone
CID 155969335
(7-amino-2,3-dihydroindol-1-yl)-(1-ethylcyclopentyl)methanone
CID 114455722
1-(7-amino-2,3-dihydroindol-1-yl)-3-pyrrolidin-1-ylpropan-1-one
CID 114455890
(7-amino-2,3-dihydroindol-1-yl)-(1-phenylcyclopropyl)methanone
CID 114455613

Frequently Asked Questions

What is the IUPAC name of (7-amino-2,3-dihydroindol-1-yl)-thiophen-2-ylmethanone?
The IUPAC name of (7-amino-2,3-dihydroindol-1-yl)-thiophen-2-ylmethanone (CID 114455754) is (7-amino-2,3-dihydroindol-1-yl)-thiophen-2-ylmethanone.
What is the SMILES notation for (7-amino-2,3-dihydroindol-1-yl)-thiophen-2-ylmethanone?
The canonical SMILES for (7-amino-2,3-dihydroindol-1-yl)-thiophen-2-ylmethanone is Nc1cccc2c1N(C(=O)c1cccs1)CC2.
What is the InChIKey of (7-amino-2,3-dihydroindol-1-yl)-thiophen-2-ylmethanone?
The InChIKey is COFFIEATFQUKDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2OS/c14-10-4-1-3-9-6-7-15(12(9)10)13(16)11-5-2-8-17-11/h1-5,8H,6-7,14H2.
What are the key properties of (7-amino-2,3-dihydroindol-1-yl)-thiophen-2-ylmethanone?
(7-amino-2,3-dihydroindol-1-yl)-thiophen-2-ylmethanone has a molecular weight of 244.32 g/mol, XLogP of 2.53, 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)-thiophen-2-ylmethanone is sourced from PubChem (CID 114455754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).