2-methyl-1-(2-methyl-1H-indol-3-yl)pentan-1-one

C15H19NO — CID 43161219

IUPAC2-methyl-1-(2-methyl-1H-indol-3-yl)pentan-1-one
SMILESCCCC(C)C(=O)c1c(C)[nH]c2ccccc12
InChIInChI=1S/C15H19NO/c1-4-7-10(2)15(17)14-11(3)16-13-9-6-5-8-12(13)14/h5-6,8-10,16H,4,7H2,1-3H3
InChIKeyKIJMXIXKDMKXBV-UHFFFAOYSA-N
MW229.32 g/mol
LogP4.10
Rot. Bonds4

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

2-methyl-1-(2-methyl-1H-indol-3-yl)pentan-1-one (PubChem CID 43161219) has the molecular formula C15H19NO and a molecular weight of 229.32 g/mol. Its IUPAC name is 2-methyl-1-(2-methyl-1H-indol-3-yl)pentan-1-one.

Molecular Properties

Compound Name2-methyl-1-(2-methyl-1H-indol-3-yl)pentan-1-one
PubChem CID43161219
Molecular FormulaC15H19NO
Molecular Weight229.32 g/mol
Exact Mass229.15
IUPAC Name2-methyl-1-(2-methyl-1H-indol-3-yl)pentan-1-one
SMILESCCCC(C)C(=O)c1c(C)[nH]c2ccccc12
InChIInChI=1S/C15H19NO/c1-4-7-10(2)15(17)14-11(3)16-13-9-6-5-8-12(13)14/h5-6,8-10,16H,4,7H2,1-3H3
InChIKeyKIJMXIXKDMKXBV-UHFFFAOYSA-N
XLogP4.10
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-ethyl-3-methyl-1-(2-methyl-1H-indol-3-yl)butan-1-one
CID 82254393
(2S)-2-chloro-1-(2-methyl-1H-indol-3-yl)propan-1-one
CID 2405282
[2-oxo-2-(pentan-2-ylamino)ethyl] 2-methyl-1H-indole-3-carboxylate
CID 18098798
[(2R)-1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl] 4-methylpentanoate
CID 7848272
1-(2-methyl-1H-indol-3-yl)pentan-1-one
CID 4682217
3,3,3-trifluoro-1-(2-methyl-1H-indol-3-yl)-2-(trifluoromethyl)propan-1-one
CID 103309361
1-(2-methyl-1H-indol-3-yl)nonan-1-one
CID 65449117
methyl 2-methyl-1H-indole-3-carboxylate
CID 594174
3-[(2S)-1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl]sulfanylpropanoic acid
CID 26682281
3-[(2R)-1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl]sulfanylpropanoic acid
CID 26682279
CID 170645728
CID 170645728
1-phenylethyl 2-methyl-1H-indole-3-carboxylate
CID 142169853

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(2-methyl-1H-indol-3-yl)pentan-1-one?
The IUPAC name of 2-methyl-1-(2-methyl-1H-indol-3-yl)pentan-1-one (CID 43161219) is 2-methyl-1-(2-methyl-1H-indol-3-yl)pentan-1-one.
What is the SMILES notation for 2-methyl-1-(2-methyl-1H-indol-3-yl)pentan-1-one?
The canonical SMILES for 2-methyl-1-(2-methyl-1H-indol-3-yl)pentan-1-one is CCCC(C)C(=O)c1c(C)[nH]c2ccccc12.
What is the InChIKey of 2-methyl-1-(2-methyl-1H-indol-3-yl)pentan-1-one?
The InChIKey is KIJMXIXKDMKXBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO/c1-4-7-10(2)15(17)14-11(3)16-13-9-6-5-8-12(13)14/h5-6,8-10,16H,4,7H2,1-3H3.
What are the key properties of 2-methyl-1-(2-methyl-1H-indol-3-yl)pentan-1-one?
2-methyl-1-(2-methyl-1H-indol-3-yl)pentan-1-one has a molecular weight of 229.32 g/mol, XLogP of 4.10, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(2-methyl-1H-indol-3-yl)pentan-1-one is sourced from PubChem (CID 43161219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).