1-(1,3-dimethyl-2,3-dihydroindol-7-yl)ethanone

C12H15NO — CID 117204057

IUPAC1-(1,3-dimethyl-2,3-dihydroindol-7-yl)ethanone
SMILESCC(=O)c1cccc2c1N(C)CC2C
InChIInChI=1S/C12H15NO/c1-8-7-13(3)12-10(8)5-4-6-11(12)9(2)14/h4-6,8H,7H2,1-3H3
InChIKeyMPKPQNQPBKQIBE-UHFFFAOYSA-N
MW189.26 g/mol
LogP2.44
Rot. Bonds1

About 1-(1,3-dimethyl-2,3-dihydroindol-7-yl)ethanone

1-(1,3-dimethyl-2,3-dihydroindol-7-yl)ethanone (PubChem CID 117204057) has the molecular formula C12H15NO and a molecular weight of 189.26 g/mol. Its IUPAC name is 1-(1,3-dimethyl-2,3-dihydroindol-7-yl)ethanone.

Molecular Properties

Compound Name1-(1,3-dimethyl-2,3-dihydroindol-7-yl)ethanone
PubChem CID117204057
Molecular FormulaC12H15NO
Molecular Weight189.26 g/mol
Exact Mass189.12
IUPAC Name1-(1,3-dimethyl-2,3-dihydroindol-7-yl)ethanone
SMILESCC(=O)c1cccc2c1N(C)CC2C
InChIInChI=1S/C12H15NO/c1-8-7-13(3)12-10(8)5-4-6-11(12)9(2)14/h4-6,8H,7H2,1-3H3
InChIKeyMPKPQNQPBKQIBE-UHFFFAOYSA-N
XLogP2.44
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1,3-dimethyl-2,3-dihydroindol-7-yl)ethanol
CID 117204069
(1,3-dimethyl-2,3-dihydroindol-7-yl)methanamine
CID 117204110
1-(1,3-dimethyl-2,3-dihydroindol-7-yl)-N-methylmethanamine
CID 117204112
(3S)-1,3-dimethyl-2,3-dihydroindole
CID 126732143
1-(2-fluoro-3-piperidin-4-ylphenyl)ethanone
CID 57448055
1-[3-fluoro-2-(4-propan-2-ylpiperidin-1-yl)phenyl]ethanone
CID 114058496
1-(4,8-dimethyl-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 128707688
1-[2-(2,2-difluorocyclopropyl)phenyl]ethanone
CID 115020521
1-(2-acetylphenyl)ethanone;methane
CID 158210616
1,3-dimethyl-1,2,4,5-tetrahydro-3-benzazepine-5-carboxamide
CID 173111945
1,3-dimethyl-2,3-dihydroindole-5-carboxylic acid
CID 20744133
2-(7-fluoro-1-methyl-2,3-dihydroindol-3-yl)acetic acid
CID 82276735

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dimethyl-2,3-dihydroindol-7-yl)ethanone?
The IUPAC name of 1-(1,3-dimethyl-2,3-dihydroindol-7-yl)ethanone (CID 117204057) is 1-(1,3-dimethyl-2,3-dihydroindol-7-yl)ethanone.
What is the SMILES notation for 1-(1,3-dimethyl-2,3-dihydroindol-7-yl)ethanone?
The canonical SMILES for 1-(1,3-dimethyl-2,3-dihydroindol-7-yl)ethanone is CC(=O)c1cccc2c1N(C)CC2C.
What is the InChIKey of 1-(1,3-dimethyl-2,3-dihydroindol-7-yl)ethanone?
The InChIKey is MPKPQNQPBKQIBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO/c1-8-7-13(3)12-10(8)5-4-6-11(12)9(2)14/h4-6,8H,7H2,1-3H3.
What are the key properties of 1-(1,3-dimethyl-2,3-dihydroindol-7-yl)ethanone?
1-(1,3-dimethyl-2,3-dihydroindol-7-yl)ethanone has a molecular weight of 189.26 g/mol, XLogP of 2.44, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dimethyl-2,3-dihydroindol-7-yl)ethanone is sourced from PubChem (CID 117204057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).