1-(6-amino-2,3-dihydroindol-1-yl)-2-(1H-indol-3-yl)ethanone

C18H17N3O — CID 28707109

IUPAC1-(6-amino-2,3-dihydroindol-1-yl)-2-(1H-indol-3-yl)ethanone
SMILESNc1ccc2c(c1)N(C(=O)Cc1c[nH]c3ccccc13)CC2
InChIInChI=1S/C18H17N3O/c19-14-6-5-12-7-8-21(17(12)10-14)18(22)9-13-11-20-16-4-2-1-3-15(13)16/h1-6,10-11,20H,7-9,19H2
InChIKeyCCJCZKMJVUKBDI-UHFFFAOYSA-N
MW291.35 g/mol
LogP2.88
Rot. Bonds2

About 1-(6-amino-2,3-dihydroindol-1-yl)-2-(1H-indol-3-yl)ethanone

1-(6-amino-2,3-dihydroindol-1-yl)-2-(1H-indol-3-yl)ethanone (PubChem CID 28707109) has the molecular formula C18H17N3O and a molecular weight of 291.35 g/mol. Its IUPAC name is 1-(6-amino-2,3-dihydroindol-1-yl)-2-(1H-indol-3-yl)ethanone.

Molecular Properties

Compound Name1-(6-amino-2,3-dihydroindol-1-yl)-2-(1H-indol-3-yl)ethanone
PubChem CID28707109
Molecular FormulaC18H17N3O
Molecular Weight291.35 g/mol
Exact Mass291.14
IUPAC Name1-(6-amino-2,3-dihydroindol-1-yl)-2-(1H-indol-3-yl)ethanone
SMILESNc1ccc2c(c1)N(C(=O)Cc1c[nH]c3ccccc13)CC2
InChIInChI=1S/C18H17N3O/c19-14-6-5-12-7-8-21(17(12)10-14)18(22)9-13-11-20-16-4-2-1-3-15(13)16/h1-6,10-11,20H,7-9,19H2
InChIKeyCCJCZKMJVUKBDI-UHFFFAOYSA-N
XLogP2.88
TPSA62.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 52.88
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

2-(1H-indol-3-yl)-1-(6-nitro-2,3-dihydroindol-1-yl)ethanone
CID 47016880
1-(7-amino-3,4-dihydro-1H-isoquinolin-2-yl)-2-(1H-indol-3-yl)ethanone
CID 28707231
2-(1H-indol-3-yl)-1-(7-methoxy-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 110749663
2-(6-chloro-1H-indol-3-yl)-1-(2,3-dihydroindol-1-yl)ethanone
CID 113209785
1-(7-amino-3,4-dihydro-2H-quinolin-1-yl)-2-(2-hydroxyphenyl)ethanone
CID 80744116
1-[2-(1H-indol-3-yl)acetyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide
CID 26769527
1-(2,3-dihydroindol-1-yl)-2-(5-methoxy-1H-indol-3-yl)ethanone
CID 110856984
[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 4-(1H-indol-3-yl)butanoate
CID 2423316
1-(6-amino-2,3-dihydroindol-1-yl)-2-(3-methylphenyl)ethanone
CID 62389016
1-[2-(1H-indol-3-yl)acetyl]piperidin-4-one
CID 28753763
1-(6-amino-2,3-dihydroindol-1-yl)-2-piperidin-1-ylethanone
CID 20773361
1-(6-amino-2,3-dihydroindol-1-yl)-2-(2-chloro-6-fluorophenyl)ethanone
CID 28933951

Frequently Asked Questions

What is the IUPAC name of 1-(6-amino-2,3-dihydroindol-1-yl)-2-(1H-indol-3-yl)ethanone?
The IUPAC name of 1-(6-amino-2,3-dihydroindol-1-yl)-2-(1H-indol-3-yl)ethanone (CID 28707109) is 1-(6-amino-2,3-dihydroindol-1-yl)-2-(1H-indol-3-yl)ethanone.
What is the SMILES notation for 1-(6-amino-2,3-dihydroindol-1-yl)-2-(1H-indol-3-yl)ethanone?
The canonical SMILES for 1-(6-amino-2,3-dihydroindol-1-yl)-2-(1H-indol-3-yl)ethanone is Nc1ccc2c(c1)N(C(=O)Cc1c[nH]c3ccccc13)CC2.
What is the InChIKey of 1-(6-amino-2,3-dihydroindol-1-yl)-2-(1H-indol-3-yl)ethanone?
The InChIKey is CCJCZKMJVUKBDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O/c19-14-6-5-12-7-8-21(17(12)10-14)18(22)9-13-11-20-16-4-2-1-3-15(13)16/h1-6,10-11,20H,7-9,19H2.
What are the key properties of 1-(6-amino-2,3-dihydroindol-1-yl)-2-(1H-indol-3-yl)ethanone?
1-(6-amino-2,3-dihydroindol-1-yl)-2-(1H-indol-3-yl)ethanone has a molecular weight of 291.35 g/mol, XLogP of 2.88, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-amino-2,3-dihydroindol-1-yl)-2-(1H-indol-3-yl)ethanone is sourced from PubChem (CID 28707109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).