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

C14H17NO — CID 4682217

IUPAC1-(2-methyl-1H-indol-3-yl)pentan-1-one
SMILESCCCCC(=O)c1c(C)[nH]c2ccccc12
InChIInChI=1S/C14H17NO/c1-3-4-9-13(16)14-10(2)15-12-8-6-5-7-11(12)14/h5-8,15H,3-4,9H2,1-2H3
InChIKeyCILLXVWLSZDSHT-UHFFFAOYSA-N
MW215.30 g/mol
LogP3.85
Rot. Bonds4

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

1-(2-methyl-1H-indol-3-yl)pentan-1-one (PubChem CID 4682217) has the molecular formula C14H17NO and a molecular weight of 215.30 g/mol. Its IUPAC name is 1-(2-methyl-1H-indol-3-yl)pentan-1-one.

Molecular Properties

Compound Name1-(2-methyl-1H-indol-3-yl)pentan-1-one
PubChem CID4682217
Molecular FormulaC14H17NO
Molecular Weight215.30 g/mol
Exact Mass215.13
IUPAC Name1-(2-methyl-1H-indol-3-yl)pentan-1-one
SMILESCCCCC(=O)c1c(C)[nH]c2ccccc12
InChIInChI=1S/C14H17NO/c1-3-4-9-13(16)14-10(2)15-12-8-6-5-7-11(12)14/h5-8,15H,3-4,9H2,1-2H3
InChIKeyCILLXVWLSZDSHT-UHFFFAOYSA-N
XLogP3.85
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-methyl-1H-indol-3-yl)nonan-1-one
CID 65449117
4-(methylamino)-1-(2-methyl-1H-indol-3-yl)butan-1-one
CID 116915904
2-[butyl(methyl)amino]-1-(2-methyl-1H-indol-3-yl)ethanone
CID 46800797
1-[2-(trifluoromethyl)-1H-indol-3-yl]pentan-1-one
CID 10967536
1-(2-methyl-1H-indol-3-yl)-2-phenylethanone
CID 15577659
2-(dimethylamino)-1-(2-methyl-1H-indol-3-yl)ethanone
CID 804946
3-[[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]amino]propanoic acid
CID 98017040
1-(2-methyl-1H-indol-3-yl)-3-piperazin-1-ylpropan-1-one
CID 95474523
CID 170645728
CID 170645728
2-methyl-1-(2-methyl-1H-indol-3-yl)pentan-1-one
CID 43161219
1-[2-(4-methylphenyl)sulfonyl-1H-indol-3-yl]hexan-1-one
CID 67686971
3-(1H-imidazol-2-yl)-1-(2-methyl-1H-indol-3-yl)propan-1-one
CID 21270046

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-1H-indol-3-yl)pentan-1-one?
The IUPAC name of 1-(2-methyl-1H-indol-3-yl)pentan-1-one (CID 4682217) is 1-(2-methyl-1H-indol-3-yl)pentan-1-one.
What is the SMILES notation for 1-(2-methyl-1H-indol-3-yl)pentan-1-one?
The canonical SMILES for 1-(2-methyl-1H-indol-3-yl)pentan-1-one is CCCCC(=O)c1c(C)[nH]c2ccccc12.
What is the InChIKey of 1-(2-methyl-1H-indol-3-yl)pentan-1-one?
The InChIKey is CILLXVWLSZDSHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO/c1-3-4-9-13(16)14-10(2)15-12-8-6-5-7-11(12)14/h5-8,15H,3-4,9H2,1-2H3.
What are the key properties of 1-(2-methyl-1H-indol-3-yl)pentan-1-one?
1-(2-methyl-1H-indol-3-yl)pentan-1-one has a molecular weight of 215.30 g/mol, XLogP of 3.85, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-1H-indol-3-yl)pentan-1-one is sourced from PubChem (CID 4682217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).