1-amino-1-(1H-indol-7-yl)propan-2-one

C11H12N2O — CID 55270531

IUPAC1-amino-1-(1H-indol-7-yl)propan-2-one
SMILESCC(=O)C(N)c1cccc2cc[nH]c12
InChIInChI=1S/C11H12N2O/c1-7(14)10(12)9-4-2-3-8-5-6-13-11(8)9/h2-6,10,13H,12H2,1H3
InChIKeyNVTGVRIHGOJJNS-UHFFFAOYSA-N
MW188.23 g/mol
LogP1.76
Rot. Bonds2

About 1-amino-1-(1H-indol-7-yl)propan-2-one

1-amino-1-(1H-indol-7-yl)propan-2-one (PubChem CID 55270531) has the molecular formula C11H12N2O and a molecular weight of 188.23 g/mol. Its IUPAC name is 1-amino-1-(1H-indol-7-yl)propan-2-one.

Molecular Properties

Compound Name1-amino-1-(1H-indol-7-yl)propan-2-one
PubChem CID55270531
Molecular FormulaC11H12N2O
Molecular Weight188.23 g/mol
Exact Mass188.09
IUPAC Name1-amino-1-(1H-indol-7-yl)propan-2-one
SMILESCC(=O)C(N)c1cccc2cc[nH]c12
InChIInChI=1S/C11H12N2O/c1-7(14)10(12)9-4-2-3-8-5-6-13-11(8)9/h2-6,10,13H,12H2,1H3
InChIKeyNVTGVRIHGOJJNS-UHFFFAOYSA-N
XLogP1.76
TPSA58.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1H-indol-7-yl)ethanamine
CID 68767780
(3S)-3-(1H-indol-7-yl)butanoic acid
CID 96762196
1-amino-1-(1H-indol-4-yl)propan-2-one
CID 55270275
methyl (3R)-3-amino-3-(1H-indol-7-yl)propanoate
CID 165356161
2-hydroxy-2-(1H-indol-7-yl)acetic acid
CID 82403712
(1S)-1-(1H-indol-7-yl)propan-1-amine
CID 55254624
2-(1H-indol-7-yl)-3-methylbutanoic acid
CID 82614338
4-amino-4-(1H-indol-7-yl)butanoic acid
CID 82614845
4-amino-3-(1H-indol-7-yl)butanoic acid
CID 82614844
1-amino-1-(2-bromophenyl)propan-2-one
CID 116859743
1-amino-1-(2-methylphenyl)propan-2-one
CID 55295097
azane;1H-indole-7-carboxamide
CID 174982702

Frequently Asked Questions

What is the IUPAC name of 1-amino-1-(1H-indol-7-yl)propan-2-one?
The IUPAC name of 1-amino-1-(1H-indol-7-yl)propan-2-one (CID 55270531) is 1-amino-1-(1H-indol-7-yl)propan-2-one.
What is the SMILES notation for 1-amino-1-(1H-indol-7-yl)propan-2-one?
The canonical SMILES for 1-amino-1-(1H-indol-7-yl)propan-2-one is CC(=O)C(N)c1cccc2cc[nH]c12.
What is the InChIKey of 1-amino-1-(1H-indol-7-yl)propan-2-one?
The InChIKey is NVTGVRIHGOJJNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O/c1-7(14)10(12)9-4-2-3-8-5-6-13-11(8)9/h2-6,10,13H,12H2,1H3.
What are the key properties of 1-amino-1-(1H-indol-7-yl)propan-2-one?
1-amino-1-(1H-indol-7-yl)propan-2-one has a molecular weight of 188.23 g/mol, XLogP of 1.76, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-1-(1H-indol-7-yl)propan-2-one is sourced from PubChem (CID 55270531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).