2-methyl-1-(5-methyl-2,3-dihydroindol-1-yl)propan-1-one

C13H17NO — CID 110713868

IUPAC2-methyl-1-(5-methyl-2,3-dihydroindol-1-yl)propan-1-one
SMILESCc1ccc2c(c1)CCN2C(=O)C(C)C
InChIInChI=1S/C13H17NO/c1-9(2)13(15)14-7-6-11-8-10(3)4-5-12(11)14/h4-5,8-9H,6-7H2,1-3H3
InChIKeyYPVKDSNXHPVAFE-UHFFFAOYSA-N
MW203.28 g/mol
LogP2.54
Rot. Bonds1

About 2-methyl-1-(5-methyl-2,3-dihydroindol-1-yl)propan-1-one

2-methyl-1-(5-methyl-2,3-dihydroindol-1-yl)propan-1-one (PubChem CID 110713868) has the molecular formula C13H17NO and a molecular weight of 203.28 g/mol. Its IUPAC name is 2-methyl-1-(5-methyl-2,3-dihydroindol-1-yl)propan-1-one.

Molecular Properties

Compound Name2-methyl-1-(5-methyl-2,3-dihydroindol-1-yl)propan-1-one
PubChem CID110713868
Molecular FormulaC13H17NO
Molecular Weight203.28 g/mol
Exact Mass203.13
IUPAC Name2-methyl-1-(5-methyl-2,3-dihydroindol-1-yl)propan-1-one
SMILESCc1ccc2c(c1)CCN2C(=O)C(C)C
InChIInChI=1S/C13H17NO/c1-9(2)13(15)14-7-6-11-8-10(3)4-5-12(11)14/h4-5,8-9H,6-7H2,1-3H3
InChIKeyYPVKDSNXHPVAFE-UHFFFAOYSA-N
XLogP2.54
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

methane;1-(5-methyl-2,3-dihydroindol-1-yl)ethanone
CID 159834618
methyl 1-(2-methylpropanoyl)-2,3-dihydroindole-5-carboxylate
CID 86917334
(5-methyl-2,3-dihydroindol-1-yl)-(4-methylphenyl)methanone
CID 20793206
1-[5-(2-chloroacetyl)-2,3-dihydroindol-1-yl]-2-methylpropan-1-one
CID 28803845
2-(methylamino)-1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-one
CID 62638376
2-bromo-3-methyl-1-[1-(2-methylpropanoyl)-2,3-dihydroindol-5-yl]butan-1-one
CID 82258865
1-[5-[4-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]phenyl]-2,3-dihydroindol-1-yl]-2-methylpropan-1-one
CID 53109902
2-ethyl-1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-1-one
CID 112762126
tert-butyl 5-methyl-2,3-dihydroindole-1-carboxylate
CID 10657293
1-[5-(2-aminobutyl)-2,3-dihydroindol-1-yl]-2-methylpropan-1-one
CID 82259757
1-[1-(2-methylpropanoyl)-2,3-dihydroindol-5-yl]-3-phenylurea
CID 110358442
2-amino-4-methyl-1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)pentan-1-one
CID 24702474

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(5-methyl-2,3-dihydroindol-1-yl)propan-1-one?
The IUPAC name of 2-methyl-1-(5-methyl-2,3-dihydroindol-1-yl)propan-1-one (CID 110713868) is 2-methyl-1-(5-methyl-2,3-dihydroindol-1-yl)propan-1-one.
What is the SMILES notation for 2-methyl-1-(5-methyl-2,3-dihydroindol-1-yl)propan-1-one?
The canonical SMILES for 2-methyl-1-(5-methyl-2,3-dihydroindol-1-yl)propan-1-one is Cc1ccc2c(c1)CCN2C(=O)C(C)C.
What is the InChIKey of 2-methyl-1-(5-methyl-2,3-dihydroindol-1-yl)propan-1-one?
The InChIKey is YPVKDSNXHPVAFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO/c1-9(2)13(15)14-7-6-11-8-10(3)4-5-12(11)14/h4-5,8-9H,6-7H2,1-3H3.
What are the key properties of 2-methyl-1-(5-methyl-2,3-dihydroindol-1-yl)propan-1-one?
2-methyl-1-(5-methyl-2,3-dihydroindol-1-yl)propan-1-one has a molecular weight of 203.28 g/mol, XLogP of 2.54, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(5-methyl-2,3-dihydroindol-1-yl)propan-1-one is sourced from PubChem (CID 110713868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).