4-methyl-4-(1-methylindol-3-yl)pentan-2-one

C15H19NO — CID 12015252

IUPAC4-methyl-4-(1-methylindol-3-yl)pentan-2-one
SMILESCC(=O)CC(C)(C)c1cn(C)c2ccccc12
InChIInChI=1S/C15H19NO/c1-11(17)9-15(2,3)13-10-16(4)14-8-6-5-7-12(13)14/h5-8,10H,9H2,1-4H3
InChIKeyCYBYJVUPKSXIDV-UHFFFAOYSA-N
MW229.32 g/mol
LogP3.43
Rot. Bonds3

About 4-methyl-4-(1-methylindol-3-yl)pentan-2-one

4-methyl-4-(1-methylindol-3-yl)pentan-2-one (PubChem CID 12015252) has the molecular formula C15H19NO and a molecular weight of 229.32 g/mol. Its IUPAC name is 4-methyl-4-(1-methylindol-3-yl)pentan-2-one.

Molecular Properties

Compound Name4-methyl-4-(1-methylindol-3-yl)pentan-2-one
PubChem CID12015252
Molecular FormulaC15H19NO
Molecular Weight229.32 g/mol
Exact Mass229.15
IUPAC Name4-methyl-4-(1-methylindol-3-yl)pentan-2-one
SMILESCC(=O)CC(C)(C)c1cn(C)c2ccccc12
InChIInChI=1S/C15H19NO/c1-11(17)9-15(2,3)13-10-16(4)14-8-6-5-7-12(13)14/h5-8,10H,9H2,1-4H3
InChIKeyCYBYJVUPKSXIDV-UHFFFAOYSA-N
XLogP3.43
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[2-methyl-2-(1-methylindol-3-yl)propyl]urea
CID 19756239
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2-methyl-2-(1-methylindol-3-yl)propaneperoxoic acid
CID 22943029
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3-methyl-3-(1-methyl-5-propan-2-ylindol-3-yl)butanoic acid
CID 84641969
2-methyl-2-(1-methylindol-3-yl)sulfonylpropan-1-ol
CID 116855264
1-tert-butyl-3-[(1-methylindol-3-yl)methyl]urea
CID 110775093
2-cyclopropyl-2-(1-methylindol-3-yl)propan-1-amine
CID 83840061
1-[methyl-[(1-methylindol-3-yl)methyl]amino]propan-2-one
CID 115234876
2,2-dimethyl-3-(1-methylindol-3-yl)-3-oxopropanoic acid
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CID 91045612

Frequently Asked Questions

What is the IUPAC name of 4-methyl-4-(1-methylindol-3-yl)pentan-2-one?
The IUPAC name of 4-methyl-4-(1-methylindol-3-yl)pentan-2-one (CID 12015252) is 4-methyl-4-(1-methylindol-3-yl)pentan-2-one.
What is the SMILES notation for 4-methyl-4-(1-methylindol-3-yl)pentan-2-one?
The canonical SMILES for 4-methyl-4-(1-methylindol-3-yl)pentan-2-one is CC(=O)CC(C)(C)c1cn(C)c2ccccc12.
What is the InChIKey of 4-methyl-4-(1-methylindol-3-yl)pentan-2-one?
The InChIKey is CYBYJVUPKSXIDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO/c1-11(17)9-15(2,3)13-10-16(4)14-8-6-5-7-12(13)14/h5-8,10H,9H2,1-4H3.
What are the key properties of 4-methyl-4-(1-methylindol-3-yl)pentan-2-one?
4-methyl-4-(1-methylindol-3-yl)pentan-2-one has a molecular weight of 229.32 g/mol, XLogP of 3.43, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-4-(1-methylindol-3-yl)pentan-2-one is sourced from PubChem (CID 12015252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).