1-(3-acetyl-6-methylindol-1-yl)propan-2-one

C14H15NO2 — CID 126628917

IUPAC1-(3-acetyl-6-methylindol-1-yl)propan-2-one
SMILESCC(=O)Cn1cc(C(C)=O)c2ccc(C)cc21
InChIInChI=1S/C14H15NO2/c1-9-4-5-12-13(11(3)17)8-15(7-10(2)16)14(12)6-9/h4-6,8H,7H2,1-3H3
InChIKeyKCCWNWJRMXLQTA-UHFFFAOYSA-N
MW229.28 g/mol
LogP2.74
Rot. Bonds3

About 1-(3-acetyl-6-methylindol-1-yl)propan-2-one

1-(3-acetyl-6-methylindol-1-yl)propan-2-one (PubChem CID 126628917) has the molecular formula C14H15NO2 and a molecular weight of 229.28 g/mol. Its IUPAC name is 1-(3-acetyl-6-methylindol-1-yl)propan-2-one.

Molecular Properties

Compound Name1-(3-acetyl-6-methylindol-1-yl)propan-2-one
PubChem CID126628917
Molecular FormulaC14H15NO2
Molecular Weight229.28 g/mol
Exact Mass229.11
IUPAC Name1-(3-acetyl-6-methylindol-1-yl)propan-2-one
SMILESCC(=O)Cn1cc(C(C)=O)c2ccc(C)cc21
InChIInChI=1S/C14H15NO2/c1-9-4-5-12-13(11(3)17)8-15(7-10(2)16)14(12)6-9/h4-6,8H,7H2,1-3H3
InChIKeyKCCWNWJRMXLQTA-UHFFFAOYSA-N
XLogP2.74
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-acetyl-5-methylindol-1-yl)-N-methylacetamide
CID 117098611
1-(1-ethyl-6-methylindol-3-yl)ethanone;5-(1-ethyl-6-methylindol-3-yl)-1,2-oxazole
CID 158233296
2-(3-acetyl-6-chloroindol-1-yl)-N,N-diethylacetamide
CID 143500326
1-[5-methyl-1-(2-pyrrolidin-1-ylethyl)indol-3-yl]ethanone
CID 117098609
1-[6-bromo-1-(2-methylpropyl)indol-3-yl]ethanone
CID 169304816
1-[5-methyl-1-[2-[(3-prop-1-en-2-yl-1-prop-2-enylindol-5-yl)methyl]prop-2-enyl]indol-3-yl]ethanone
CID 145105672
2-(3-acetyl-5-bromoindol-1-yl)acetic acid
CID 83948120
1-[5-bromo-1-[(4-methylphenyl)methyl]indol-3-yl]ethanone
CID 83526142
1-[5-bromo-1-(2-methylprop-2-enyl)indol-3-yl]ethanone
CID 117098702
1-[1-[2-(3-methylphenoxy)ethyl]indol-3-yl]ethanone
CID 117098447
1-(1-cyclopropyl-5-methylindol-3-yl)ethanone
CID 115028386
1-(6-fluoro-1-methylindol-3-yl)ethanone
CID 16751568

Frequently Asked Questions

What is the IUPAC name of 1-(3-acetyl-6-methylindol-1-yl)propan-2-one?
The IUPAC name of 1-(3-acetyl-6-methylindol-1-yl)propan-2-one (CID 126628917) is 1-(3-acetyl-6-methylindol-1-yl)propan-2-one.
What is the SMILES notation for 1-(3-acetyl-6-methylindol-1-yl)propan-2-one?
The canonical SMILES for 1-(3-acetyl-6-methylindol-1-yl)propan-2-one is CC(=O)Cn1cc(C(C)=O)c2ccc(C)cc21.
What is the InChIKey of 1-(3-acetyl-6-methylindol-1-yl)propan-2-one?
The InChIKey is KCCWNWJRMXLQTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2/c1-9-4-5-12-13(11(3)17)8-15(7-10(2)16)14(12)6-9/h4-6,8H,7H2,1-3H3.
What are the key properties of 1-(3-acetyl-6-methylindol-1-yl)propan-2-one?
1-(3-acetyl-6-methylindol-1-yl)propan-2-one has a molecular weight of 229.28 g/mol, XLogP of 2.74, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-acetyl-6-methylindol-1-yl)propan-2-one is sourced from PubChem (CID 126628917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).