1-[5-(dimethylamino)-1H-indol-3-yl]ethanone

C12H14N2O — CID 82397112

IUPAC1-[5-(dimethylamino)-1H-indol-3-yl]ethanone
SMILESCC(=O)c1c[nH]c2ccc(N(C)C)cc12
InChIInChI=1S/C12H14N2O/c1-8(15)11-7-13-12-5-4-9(14(2)3)6-10(11)12/h4-7,13H,1-3H3
InChIKeyRJCZDHNFYIUGSE-UHFFFAOYSA-N
MW202.26 g/mol
LogP2.44
Rot. Bonds2

About 1-[5-(dimethylamino)-1H-indol-3-yl]ethanone

1-[5-(dimethylamino)-1H-indol-3-yl]ethanone (PubChem CID 82397112) has the molecular formula C12H14N2O and a molecular weight of 202.26 g/mol. Its IUPAC name is 1-[5-(dimethylamino)-1H-indol-3-yl]ethanone.

Molecular Properties

Compound Name1-[5-(dimethylamino)-1H-indol-3-yl]ethanone
PubChem CID82397112
Molecular FormulaC12H14N2O
Molecular Weight202.26 g/mol
Exact Mass202.11
IUPAC Name1-[5-(dimethylamino)-1H-indol-3-yl]ethanone
SMILESCC(=O)c1c[nH]c2ccc(N(C)C)cc12
InChIInChI=1S/C12H14N2O/c1-8(15)11-7-13-12-5-4-9(14(2)3)6-10(11)12/h4-7,13H,1-3H3
InChIKeyRJCZDHNFYIUGSE-UHFFFAOYSA-N
XLogP2.44
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-sulfanyl-1H-indol-3-yl)ethanone
CID 163965860
3-acetyl-1H-indole-5-carbonitrile
CID 28505
1-[2-[2-acetyl-4-(dimethylamino)phenyl]-5-(dimethylamino)phenyl]ethanone
CID 171781093
1-[5-(dimethylamino)-2-methylphenyl]ethanone
CID 54505937
1-[5-(dimethylamino)-1H-indol-3-yl]-2,2,2-trifluoroethanol
CID 121000977
5-bromo-N,N-dimethyl-1H-indole-3-carboxamide
CID 22934720
N-[4-(dimethylamino)phenyl]-4-oxo-1H-quinoline-3-carboxamide
CID 13151201
methyl 3-[2-(dimethylamino)-2-oxoacetyl]-1H-indole-5-carboxylate
CID 121230644
6-acetyl-4-oxo-1H-quinoline-3-carboxylate
CID 4276311
1-(5-fluoro-1H-indol-3-yl)-3-methylbut-2-en-1-one
CID 53415736
3-(2-aminoethyl)-N,N-dimethyl-1H-indol-5-amine;methane;hydrochloride
CID 20976500
1-(3H-benzo[e]indol-1-yl)ethanone
CID 170857784

Frequently Asked Questions

What is the IUPAC name of 1-[5-(dimethylamino)-1H-indol-3-yl]ethanone?
The IUPAC name of 1-[5-(dimethylamino)-1H-indol-3-yl]ethanone (CID 82397112) is 1-[5-(dimethylamino)-1H-indol-3-yl]ethanone.
What is the SMILES notation for 1-[5-(dimethylamino)-1H-indol-3-yl]ethanone?
The canonical SMILES for 1-[5-(dimethylamino)-1H-indol-3-yl]ethanone is CC(=O)c1c[nH]c2ccc(N(C)C)cc12.
What is the InChIKey of 1-[5-(dimethylamino)-1H-indol-3-yl]ethanone?
The InChIKey is RJCZDHNFYIUGSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O/c1-8(15)11-7-13-12-5-4-9(14(2)3)6-10(11)12/h4-7,13H,1-3H3.
What are the key properties of 1-[5-(dimethylamino)-1H-indol-3-yl]ethanone?
1-[5-(dimethylamino)-1H-indol-3-yl]ethanone has a molecular weight of 202.26 g/mol, XLogP of 2.44, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(dimethylamino)-1H-indol-3-yl]ethanone is sourced from PubChem (CID 82397112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).