5-(2-methyl-1H-indol-3-yl)pentan-2-one

C14H17NO — CID 116927762

IUPAC5-(2-methyl-1H-indol-3-yl)pentan-2-one
SMILESCC(=O)CCCc1c(C)[nH]c2ccccc12
InChIInChI=1S/C14H17NO/c1-10(16)6-5-8-12-11(2)15-14-9-4-3-7-13(12)14/h3-4,7,9,15H,5-6,8H2,1-2H3
InChIKeyKWXNSRIRTQLYSA-UHFFFAOYSA-N
MW215.30 g/mol
LogP3.39
Rot. Bonds4

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

5-(2-methyl-1H-indol-3-yl)pentan-2-one (PubChem CID 116927762) has the molecular formula C14H17NO and a molecular weight of 215.30 g/mol. Its IUPAC name is 5-(2-methyl-1H-indol-3-yl)pentan-2-one.

Molecular Properties

Compound Name5-(2-methyl-1H-indol-3-yl)pentan-2-one
PubChem CID116927762
Molecular FormulaC14H17NO
Molecular Weight215.30 g/mol
Exact Mass215.13
IUPAC Name5-(2-methyl-1H-indol-3-yl)pentan-2-one
SMILESCC(=O)CCCc1c(C)[nH]c2ccccc12
InChIInChI=1S/C14H17NO/c1-10(16)6-5-8-12-11(2)15-14-9-4-3-7-13(12)14/h3-4,7,9,15H,5-6,8H2,1-2H3
InChIKeyKWXNSRIRTQLYSA-UHFFFAOYSA-N
XLogP3.39
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 ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

methyl 4-(2-methyl-1H-indol-3-yl)butanoate
CID 10609557
N'-methyl-4-(2-methyl-1H-indol-3-yl)butanehydrazide
CID 116846510
N-[2-(2-methyl-1H-indol-3-yl)ethyl]-3-oxobutanamide
CID 71492148
2-(2-methyl-1H-indol-3-yl)ethylcarbamic acid
CID 115171128
3-(3-chloropropyl)-2-methyl-1H-indole
CID 13022442
[4-[3-(2-methyl-1H-indol-3-yl)propyl]phenyl]-phenylmethanone
CID 151323459
N'-[3-(2-methyl-1H-indol-3-yl)propyl]octanediamide
CID 167105628
4-(2-methyl-1H-indol-3-yl)-1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butan-1-one
CID 10316372
N-[2-(2-methyl-1H-indol-3-yl)ethyl]propanamide
CID 110789052
2-methyl-N-[2-(2-methyl-1H-indol-3-yl)ethyl]propanamide
CID 110789053
[[8-[2-(2-methyl-1H-indol-3-yl)ethylamino]-8-oxooctanoyl]amino]oxidanium
CID 148932122
bis(2-(2-methyl-1H-indol-3-yl)ethanamine);hydrochloride
CID 169440945

Frequently Asked Questions

What is the IUPAC name of 5-(2-methyl-1H-indol-3-yl)pentan-2-one?
The IUPAC name of 5-(2-methyl-1H-indol-3-yl)pentan-2-one (CID 116927762) is 5-(2-methyl-1H-indol-3-yl)pentan-2-one.
What is the SMILES notation for 5-(2-methyl-1H-indol-3-yl)pentan-2-one?
The canonical SMILES for 5-(2-methyl-1H-indol-3-yl)pentan-2-one is CC(=O)CCCc1c(C)[nH]c2ccccc12.
What is the InChIKey of 5-(2-methyl-1H-indol-3-yl)pentan-2-one?
The InChIKey is KWXNSRIRTQLYSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO/c1-10(16)6-5-8-12-11(2)15-14-9-4-3-7-13(12)14/h3-4,7,9,15H,5-6,8H2,1-2H3.
What are the key properties of 5-(2-methyl-1H-indol-3-yl)pentan-2-one?
5-(2-methyl-1H-indol-3-yl)pentan-2-one has a molecular weight of 215.30 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methyl-1H-indol-3-yl)pentan-2-one is sourced from PubChem (CID 116927762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).