1-(1-methyl-2,3-dihydroindol-3-yl)propan-2-one

C12H15NO — CID 115106363

IUPAC1-(1-methyl-2,3-dihydroindol-3-yl)propan-2-one
SMILESCC(=O)CC1CN(C)c2ccccc21
InChIInChI=1S/C12H15NO/c1-9(14)7-10-8-13(2)12-6-4-3-5-11(10)12/h3-6,10H,7-8H2,1-2H3
InChIKeyKEHQVROBXVIYSQ-UHFFFAOYSA-N
MW189.26 g/mol
LogP2.20
Rot. Bonds2

About 1-(1-methyl-2,3-dihydroindol-3-yl)propan-2-one

1-(1-methyl-2,3-dihydroindol-3-yl)propan-2-one (PubChem CID 115106363) has the molecular formula C12H15NO and a molecular weight of 189.26 g/mol. Its IUPAC name is 1-(1-methyl-2,3-dihydroindol-3-yl)propan-2-one.

Molecular Properties

Compound Name1-(1-methyl-2,3-dihydroindol-3-yl)propan-2-one
PubChem CID115106363
Molecular FormulaC12H15NO
Molecular Weight189.26 g/mol
Exact Mass189.12
IUPAC Name1-(1-methyl-2,3-dihydroindol-3-yl)propan-2-one
SMILESCC(=O)CC1CN(C)c2ccccc21
InChIInChI=1S/C12H15NO/c1-9(14)7-10-8-13(2)12-6-4-3-5-11(10)12/h3-6,10H,7-8H2,1-2H3
InChIKeyKEHQVROBXVIYSQ-UHFFFAOYSA-N
XLogP2.20
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-azabicyclo[3.2.2]nonan-3-yl)-2-(1-methyl-2,3-dihydroindol-3-yl)ethanone
CID 70965670
1-[1-(cyclopentylmethyl)-2,3-dihydroindol-3-yl]propan-2-one
CID 115106375
1-(4-chloro-1-methyl-2,3-dihydroindol-3-yl)propan-2-one
CID 117199896
2-(1-acetyl-2,3-dihydroindol-3-yl)acetic acid
CID 44720734
(3R)-1-methyl-2,3-dihydroindol-3-amine
CID 175654020
2-[[2-(1-methyl-2,3-dihydroindol-3-yl)acetyl]amino]-2,3-dihydro-1H-indene-5-carboxylic acid
CID 167913104
methyl 2-(1-methyl-3,4-dihydro-2H-quinolin-4-yl)acetate
CID 115031353
N-methyl-3-(1-methyl-2,3-dihydroindol-3-yl)propan-1-amine
CID 115106432
1-methyl-3-(3-pyrrolidin-1-ylpropyl)-2,3-dihydroindole
CID 58386589
(3S)-1,3-dimethyl-2,3-dihydroindole
CID 126732143
2-(1-acetyl-2,3-dihydroindol-3-yl)-N,N-diethylacetamide
CID 110681950
2-[1-(3,3-dimethylbutyl)-2,3-dihydroindol-3-yl]acetic acid
CID 80578270

Frequently Asked Questions

What is the IUPAC name of 1-(1-methyl-2,3-dihydroindol-3-yl)propan-2-one?
The IUPAC name of 1-(1-methyl-2,3-dihydroindol-3-yl)propan-2-one (CID 115106363) is 1-(1-methyl-2,3-dihydroindol-3-yl)propan-2-one.
What is the SMILES notation for 1-(1-methyl-2,3-dihydroindol-3-yl)propan-2-one?
The canonical SMILES for 1-(1-methyl-2,3-dihydroindol-3-yl)propan-2-one is CC(=O)CC1CN(C)c2ccccc21.
What is the InChIKey of 1-(1-methyl-2,3-dihydroindol-3-yl)propan-2-one?
The InChIKey is KEHQVROBXVIYSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO/c1-9(14)7-10-8-13(2)12-6-4-3-5-11(10)12/h3-6,10H,7-8H2,1-2H3.
What are the key properties of 1-(1-methyl-2,3-dihydroindol-3-yl)propan-2-one?
1-(1-methyl-2,3-dihydroindol-3-yl)propan-2-one has a molecular weight of 189.26 g/mol, XLogP of 2.20, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methyl-2,3-dihydroindol-3-yl)propan-2-one is sourced from PubChem (CID 115106363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).