3-methyl-5-(1-methylindol-3-yl)pentan-2-one

C15H19NO — CID 58492260

IUPAC3-methyl-5-(1-methylindol-3-yl)pentan-2-one
SMILESCC(=O)C(C)CCc1cn(C)c2ccccc12
InChIInChI=1S/C15H19NO/c1-11(12(2)17)8-9-13-10-16(3)15-7-5-4-6-14(13)15/h4-7,10-11H,8-9H2,1-3H3
InChIKeyWICRNHTYQBCXOK-UHFFFAOYSA-N
MW229.32 g/mol
LogP3.34
Rot. Bonds4

About 3-methyl-5-(1-methylindol-3-yl)pentan-2-one

3-methyl-5-(1-methylindol-3-yl)pentan-2-one (PubChem CID 58492260) has the molecular formula C15H19NO and a molecular weight of 229.32 g/mol. Its IUPAC name is 3-methyl-5-(1-methylindol-3-yl)pentan-2-one.

Molecular Properties

Compound Name3-methyl-5-(1-methylindol-3-yl)pentan-2-one
PubChem CID58492260
Molecular FormulaC15H19NO
Molecular Weight229.32 g/mol
Exact Mass229.15
IUPAC Name3-methyl-5-(1-methylindol-3-yl)pentan-2-one
SMILESCC(=O)C(C)CCc1cn(C)c2ccccc12
InChIInChI=1S/C15H19NO/c1-11(12(2)17)8-9-13-10-16(3)15-7-5-4-6-14(13)15/h4-7,10-11H,8-9H2,1-3H3
InChIKeyWICRNHTYQBCXOK-UHFFFAOYSA-N
XLogP3.34
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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2-(1-methylindol-3-yl)-N-propan-2-ylacetamide
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4-(1-methylindol-3-yl)-N-propylbutan-2-amine
CID 107236535
2-(1-methylindol-3-yl)acetyl cyanide
CID 71772687
2-amino-3-(1-methylindol-3-yl)propanoic acid;hydrochloride
CID 134497135
(2R)-2-acetamido-3-(1-methylindol-3-yl)propanoic acid
CID 95466654
N-methyl-2-(1-methylindol-3-yl)acetohydrazide
CID 116844810
N-ethyl-3-(1-methylindol-3-yl)propanamide
CID 167074114
methyl N-[2-(1-methylindol-3-yl)ethyl]carbamate
CID 14613226
(2R)-2-(methylamino)-3-(1-methylindol-3-yl)propanoic acid
CID 71052009

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-(1-methylindol-3-yl)pentan-2-one?
The IUPAC name of 3-methyl-5-(1-methylindol-3-yl)pentan-2-one (CID 58492260) is 3-methyl-5-(1-methylindol-3-yl)pentan-2-one.
What is the SMILES notation for 3-methyl-5-(1-methylindol-3-yl)pentan-2-one?
The canonical SMILES for 3-methyl-5-(1-methylindol-3-yl)pentan-2-one is CC(=O)C(C)CCc1cn(C)c2ccccc12.
What is the InChIKey of 3-methyl-5-(1-methylindol-3-yl)pentan-2-one?
The InChIKey is WICRNHTYQBCXOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO/c1-11(12(2)17)8-9-13-10-16(3)15-7-5-4-6-14(13)15/h4-7,10-11H,8-9H2,1-3H3.
What are the key properties of 3-methyl-5-(1-methylindol-3-yl)pentan-2-one?
3-methyl-5-(1-methylindol-3-yl)pentan-2-one has a molecular weight of 229.32 g/mol, XLogP of 3.34, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-(1-methylindol-3-yl)pentan-2-one is sourced from PubChem (CID 58492260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).