1-(1H-indol-5-yl)-4-methylpentan-1-one

C14H17NO — CID 10976846

IUPAC1-(1H-indol-5-yl)-4-methylpentan-1-one
SMILESCC(C)CCC(=O)c1ccc2[nH]ccc2c1
InChIInChI=1S/C14H17NO/c1-10(2)3-6-14(16)12-4-5-13-11(9-12)7-8-15-13/h4-5,7-10,15H,3,6H2,1-2H3
InChIKeyUHPPUPAQNSSWGK-UHFFFAOYSA-N
MW215.30 g/mol
LogP3.79
Rot. Bonds4

About 1-(1H-indol-5-yl)-4-methylpentan-1-one

1-(1H-indol-5-yl)-4-methylpentan-1-one (PubChem CID 10976846) has the molecular formula C14H17NO and a molecular weight of 215.30 g/mol. Its IUPAC name is 1-(1H-indol-5-yl)-4-methylpentan-1-one.

Molecular Properties

Compound Name1-(1H-indol-5-yl)-4-methylpentan-1-one
PubChem CID10976846
Molecular FormulaC14H17NO
Molecular Weight215.30 g/mol
Exact Mass215.13
IUPAC Name1-(1H-indol-5-yl)-4-methylpentan-1-one
SMILESCC(C)CCC(=O)c1ccc2[nH]ccc2c1
InChIInChI=1S/C14H17NO/c1-10(2)3-6-14(16)12-4-5-13-11(9-12)7-8-15-13/h4-5,7-10,15H,3,6H2,1-2H3
InChIKeyUHPPUPAQNSSWGK-UHFFFAOYSA-N
XLogP3.79
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 ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(1H-indol-5-yl)-3-oxopropanoic acid
CID 170886874
1-(1H-indol-5-yl)-4-[4-(trifluoromethyl)phenyl]butane-1,4-dione
CID 90363615
ethane;1-(1H-indol-5-yl)-4-pyridin-3-ylbutane-1,4-dione
CID 144689405
N-methyl-N-(4-methylpentan-2-yl)-1H-indole-5-carboxamide
CID 63716577
(2R)-1-(1H-indol-5-yl)-2-(methylamino)propan-1-one
CID 97056556
N-hexan-3-yl-1H-indole-5-carboxamide
CID 63718470
N-(3-methylbutan-2-yl)-1H-indole-5-carboxamide
CID 63718611
N-octan-2-yl-1H-indole-5-carboxamide
CID 63716567
1H-indol-5-yl-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 63717494
(2S)-2-(1H-indole-5-carbonylamino)-4-methylpentanoate
CID 7095205
2-(cyclopropylamino)-1-(1H-indol-5-yl)ethanone
CID 76849912
1-bromobutyl 1H-indole-5-carboxylate
CID 70108962

Frequently Asked Questions

What is the IUPAC name of 1-(1H-indol-5-yl)-4-methylpentan-1-one?
The IUPAC name of 1-(1H-indol-5-yl)-4-methylpentan-1-one (CID 10976846) is 1-(1H-indol-5-yl)-4-methylpentan-1-one.
What is the SMILES notation for 1-(1H-indol-5-yl)-4-methylpentan-1-one?
The canonical SMILES for 1-(1H-indol-5-yl)-4-methylpentan-1-one is CC(C)CCC(=O)c1ccc2[nH]ccc2c1.
What is the InChIKey of 1-(1H-indol-5-yl)-4-methylpentan-1-one?
The InChIKey is UHPPUPAQNSSWGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO/c1-10(2)3-6-14(16)12-4-5-13-11(9-12)7-8-15-13/h4-5,7-10,15H,3,6H2,1-2H3.
What are the key properties of 1-(1H-indol-5-yl)-4-methylpentan-1-one?
1-(1H-indol-5-yl)-4-methylpentan-1-one has a molecular weight of 215.30 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-indol-5-yl)-4-methylpentan-1-one is sourced from PubChem (CID 10976846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).