1-(2,3-dihydro-1H-indol-2-yl)-2-(methylamino)propan-1-one

C12H16N2O — CID 70952651

IUPAC1-(2,3-dihydro-1H-indol-2-yl)-2-(methylamino)propan-1-one
SMILESCNC(C)C(=O)C1Cc2ccccc2N1
InChIInChI=1S/C12H16N2O/c1-8(13-2)12(15)11-7-9-5-3-4-6-10(9)14-11/h3-6,8,11,13-14H,7H2,1-2H3
InChIKeyYGEJJCPLGFCVOW-UHFFFAOYSA-N
MW204.27 g/mol
LogP1.20
Rot. Bonds3

About 1-(2,3-dihydro-1H-indol-2-yl)-2-(methylamino)propan-1-one

1-(2,3-dihydro-1H-indol-2-yl)-2-(methylamino)propan-1-one (PubChem CID 70952651) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-indol-2-yl)-2-(methylamino)propan-1-one.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-indol-2-yl)-2-(methylamino)propan-1-one
PubChem CID70952651
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name1-(2,3-dihydro-1H-indol-2-yl)-2-(methylamino)propan-1-one
SMILESCNC(C)C(=O)C1Cc2ccccc2N1
InChIInChI=1S/C12H16N2O/c1-8(13-2)12(15)11-7-9-5-3-4-6-10(9)14-11/h3-6,8,11,13-14H,7H2,1-2H3
InChIKeyYGEJJCPLGFCVOW-UHFFFAOYSA-N
XLogP1.20
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

bis(2,3-dihydro-1H-indol-2-yl)methanone
CID 174436301
(2R)-2-[[(2S)-2,3-dihydro-1H-indole-2-carbonyl]amino]propanoic acid
CID 54991181
2,3-dihydro-1H-indole-2-carboxylic acid;methanol
CID 174391428
N-hydroxy-2,3-dihydro-1H-indole-2-carboxamide
CID 77014605
1-[(2S)-2,3-dihydro-1H-indol-2-yl]propan-1-one
CID 67580634
N,N-dimethyl-2,3-dihydro-1H-indole-2-carboxamide
CID 18184482
N-methylsulfonyl-2,3-dihydro-1H-indole-2-carboxamide
CID 103287754
butan-2-yl 2,3-dihydro-1H-indole-2-carboxylate
CID 60903928
N-[1-(ethylamino)-1-oxopropan-2-yl]-2,3-dihydro-1H-indole-2-carboxamide
CID 76893181
N-ethyl-N-methyl-2,3-dihydro-1H-indole-2-carboxamide
CID 76893209
(2S)-N-but-3-en-2-yl-2,3-dihydro-1H-indole-2-carboxamide
CID 104864663
(2S)-N-[(1S)-1-cyclopentylethyl]-2,3-dihydro-1H-indole-2-carboxamide
CID 81390006

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-indol-2-yl)-2-(methylamino)propan-1-one?
The IUPAC name of 1-(2,3-dihydro-1H-indol-2-yl)-2-(methylamino)propan-1-one (CID 70952651) is 1-(2,3-dihydro-1H-indol-2-yl)-2-(methylamino)propan-1-one.
What is the SMILES notation for 1-(2,3-dihydro-1H-indol-2-yl)-2-(methylamino)propan-1-one?
The canonical SMILES for 1-(2,3-dihydro-1H-indol-2-yl)-2-(methylamino)propan-1-one is CNC(C)C(=O)C1Cc2ccccc2N1.
What is the InChIKey of 1-(2,3-dihydro-1H-indol-2-yl)-2-(methylamino)propan-1-one?
The InChIKey is YGEJJCPLGFCVOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O/c1-8(13-2)12(15)11-7-9-5-3-4-6-10(9)14-11/h3-6,8,11,13-14H,7H2,1-2H3.
What are the key properties of 1-(2,3-dihydro-1H-indol-2-yl)-2-(methylamino)propan-1-one?
1-(2,3-dihydro-1H-indol-2-yl)-2-(methylamino)propan-1-one has a molecular weight of 204.27 g/mol, XLogP of 1.20, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1H-indol-2-yl)-2-(methylamino)propan-1-one is sourced from PubChem (CID 70952651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).