1-(3-methyl-1H-indol-7-yl)propan-2-one

C12H13NO — CID 117205247

IUPAC1-(3-methyl-1H-indol-7-yl)propan-2-one
SMILESCC(=O)Cc1cccc2c(C)c[nH]c12
InChIInChI=1S/C12H13NO/c1-8-7-13-12-10(6-9(2)14)4-3-5-11(8)12/h3-5,7,13H,6H2,1-2H3
InChIKeyQQTSMDPRYDTVQE-UHFFFAOYSA-N
MW187.24 g/mol
LogP2.61
Rot. Bonds2

About 1-(3-methyl-1H-indol-7-yl)propan-2-one

1-(3-methyl-1H-indol-7-yl)propan-2-one (PubChem CID 117205247) has the molecular formula C12H13NO and a molecular weight of 187.24 g/mol. Its IUPAC name is 1-(3-methyl-1H-indol-7-yl)propan-2-one.

Molecular Properties

Compound Name1-(3-methyl-1H-indol-7-yl)propan-2-one
PubChem CID117205247
Molecular FormulaC12H13NO
Molecular Weight187.24 g/mol
Exact Mass187.10
IUPAC Name1-(3-methyl-1H-indol-7-yl)propan-2-one
SMILESCC(=O)Cc1cccc2c(C)c[nH]c12
InChIInChI=1S/C12H13NO/c1-8-7-13-12-10(6-9(2)14)4-3-5-11(8)12/h3-5,7,13H,6H2,1-2H3
InChIKeyQQTSMDPRYDTVQE-UHFFFAOYSA-N
XLogP2.61
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

7-ethyl-3-methyl-1H-indole
CID 13271010
3-(3-methyl-1H-indol-7-yl)propanoic acid
CID 66917746
2-(3-methyl-1H-indol-7-yl)ethanamine
CID 76846888
1-(5-methylnaphthalen-1-yl)propan-2-one
CID 59096635
4-(7-methyl-1H-indol-3-yl)butan-2-one
CID 28806455
2-[2-methyl-3-(2-oxopropyl)phenyl]acetic acid
CID 134620938
7-fluoro-3-methyl-1H-indole
CID 55287812
(7-ethyl-1H-indol-3-yl)-(2-methylphenyl)methanone
CID 43339331
1-(4-methyl-1H-indol-3-yl)propan-2-one
CID 28806622
(2,3-dimethylphenyl)-(7-ethyl-1H-indol-3-yl)methanone
CID 43339292
3-methyl-N-propan-2-yl-1H-indole-7-carboxamide
CID 166796769
1-(2-chloro-3-methylphenyl)propan-2-one
CID 67126230

Frequently Asked Questions

What is the IUPAC name of 1-(3-methyl-1H-indol-7-yl)propan-2-one?
The IUPAC name of 1-(3-methyl-1H-indol-7-yl)propan-2-one (CID 117205247) is 1-(3-methyl-1H-indol-7-yl)propan-2-one.
What is the SMILES notation for 1-(3-methyl-1H-indol-7-yl)propan-2-one?
The canonical SMILES for 1-(3-methyl-1H-indol-7-yl)propan-2-one is CC(=O)Cc1cccc2c(C)c[nH]c12.
What is the InChIKey of 1-(3-methyl-1H-indol-7-yl)propan-2-one?
The InChIKey is QQTSMDPRYDTVQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO/c1-8-7-13-12-10(6-9(2)14)4-3-5-11(8)12/h3-5,7,13H,6H2,1-2H3.
What are the key properties of 1-(3-methyl-1H-indol-7-yl)propan-2-one?
1-(3-methyl-1H-indol-7-yl)propan-2-one has a molecular weight of 187.24 g/mol, XLogP of 2.61, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methyl-1H-indol-7-yl)propan-2-one is sourced from PubChem (CID 117205247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).