1-(6-amino-1H-indol-3-yl)-2-phenylethanone

C16H14N2O — CID 57257325

IUPAC1-(6-amino-1H-indol-3-yl)-2-phenylethanone
SMILESNc1ccc2c(C(=O)Cc3ccccc3)c[nH]c2c1
InChIInChI=1S/C16H14N2O/c17-12-6-7-13-14(10-18-15(13)9-12)16(19)8-11-4-2-1-3-5-11/h1-7,9-10,18H,8,17H2
InChIKeyRJSYQPDMQVLVSQ-UHFFFAOYSA-N
MW250.30 g/mol
LogP3.18
Rot. Bonds3

About 1-(6-amino-1H-indol-3-yl)-2-phenylethanone

1-(6-amino-1H-indol-3-yl)-2-phenylethanone (PubChem CID 57257325) has the molecular formula C16H14N2O and a molecular weight of 250.30 g/mol. Its IUPAC name is 1-(6-amino-1H-indol-3-yl)-2-phenylethanone.

Molecular Properties

Compound Name1-(6-amino-1H-indol-3-yl)-2-phenylethanone
PubChem CID57257325
Molecular FormulaC16H14N2O
Molecular Weight250.30 g/mol
Exact Mass250.11
IUPAC Name1-(6-amino-1H-indol-3-yl)-2-phenylethanone
SMILESNc1ccc2c(C(=O)Cc3ccccc3)c[nH]c2c1
InChIInChI=1S/C16H14N2O/c17-12-6-7-13-14(10-18-15(13)9-12)16(19)8-11-4-2-1-3-5-11/h1-7,9-10,18H,8,17H2
InChIKeyRJSYQPDMQVLVSQ-UHFFFAOYSA-N
XLogP3.18
TPSA58.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-amino-N-(2-phenylethyl)-1H-indole-3-carboxamide
CID 61091496
6-amino-N-phenyl-1H-indole-3-carboxamide;hydrochloride
CID 71938706
1-(6-chloro-1H-indol-3-yl)-2-(3-chlorophenyl)ethanone
CID 63492171
N-[(2S)-2-hydroxypropyl]-3-(2-phenylacetyl)-1H-indole-6-carboxamide
CID 139422991
2-(3-fluorophenyl)-1-(1H-indol-3-yl)ethanone
CID 43339255
1-(1H-indol-3-yl)-2-(3-methylphenyl)ethanone
CID 588980
2-(4-fluorophenyl)-1-(1H-indol-3-yl)ethanone
CID 43339236
6-amino-N-[(3-fluorophenyl)methyl]-1H-indole-3-carboxamide
CID 61095134
2-methoxyethyl 6-amino-1H-indole-3-carboxylate
CID 61309847
6-amino-N-(3,3-dimethylbutyl)-1H-indole-3-carboxamide
CID 115597694
2-(3,4-dichlorophenyl)-1-(1H-indol-3-yl)ethanone
CID 63490590
1-(6-methyl-1H-indol-3-yl)-2-(2-methylphenyl)ethanone
CID 43341943

Frequently Asked Questions

What is the IUPAC name of 1-(6-amino-1H-indol-3-yl)-2-phenylethanone?
The IUPAC name of 1-(6-amino-1H-indol-3-yl)-2-phenylethanone (CID 57257325) is 1-(6-amino-1H-indol-3-yl)-2-phenylethanone.
What is the SMILES notation for 1-(6-amino-1H-indol-3-yl)-2-phenylethanone?
The canonical SMILES for 1-(6-amino-1H-indol-3-yl)-2-phenylethanone is Nc1ccc2c(C(=O)Cc3ccccc3)c[nH]c2c1.
What is the InChIKey of 1-(6-amino-1H-indol-3-yl)-2-phenylethanone?
The InChIKey is RJSYQPDMQVLVSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O/c17-12-6-7-13-14(10-18-15(13)9-12)16(19)8-11-4-2-1-3-5-11/h1-7,9-10,18H,8,17H2.
What are the key properties of 1-(6-amino-1H-indol-3-yl)-2-phenylethanone?
1-(6-amino-1H-indol-3-yl)-2-phenylethanone has a molecular weight of 250.30 g/mol, XLogP of 3.18, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-amino-1H-indol-3-yl)-2-phenylethanone is sourced from PubChem (CID 57257325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).