1-(4-methyl-1H-indol-3-yl)pentan-1-one

C14H17NO — CID 43163359

IUPAC1-(4-methyl-1H-indol-3-yl)pentan-1-one
SMILESCCCCC(=O)c1c[nH]c2cccc(C)c12
InChIInChI=1S/C14H17NO/c1-3-4-8-13(16)11-9-15-12-7-5-6-10(2)14(11)12/h5-7,9,15H,3-4,8H2,1-2H3
InChIKeyHZCHCQBAYLENOY-UHFFFAOYSA-N
MW215.30 g/mol
LogP3.85
Rot. Bonds4

About 1-(4-methyl-1H-indol-3-yl)pentan-1-one

1-(4-methyl-1H-indol-3-yl)pentan-1-one (PubChem CID 43163359) has the molecular formula C14H17NO and a molecular weight of 215.30 g/mol. Its IUPAC name is 1-(4-methyl-1H-indol-3-yl)pentan-1-one.

Molecular Properties

Compound Name1-(4-methyl-1H-indol-3-yl)pentan-1-one
PubChem CID43163359
Molecular FormulaC14H17NO
Molecular Weight215.30 g/mol
Exact Mass215.13
IUPAC Name1-(4-methyl-1H-indol-3-yl)pentan-1-one
SMILESCCCCC(=O)c1c[nH]c2cccc(C)c12
InChIInChI=1S/C14H17NO/c1-3-4-8-13(16)11-9-15-12-7-5-6-10(2)14(11)12/h5-7,9,15H,3-4,8H2,1-2H3
InChIKeyHZCHCQBAYLENOY-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-(4-fluoro-1H-indol-3-yl)butan-1-one
CID 82793339
1-(4-methoxy-1H-indol-3-yl)butan-1-one
CID 83163491
1-(4-propan-2-yloxy-1H-indol-3-yl)hexan-1-one
CID 83162556
2-(2-chlorophenyl)-1-(4-methyl-1H-indol-3-yl)ethanone
CID 43163365
2-cyclohexyl-1-(4-methyl-1H-indol-3-yl)ethanone
CID 43163350
2,2-dimethyl-1-(4-methyl-1H-indol-3-yl)propan-1-one
CID 43163357
1-(4-methyl-1H-indol-3-yl)-2-phenylethane-1,2-dione
CID 135028802
1-(2,3-dimethylphenyl)nonan-1-one
CID 112698774
1-(2-methylphenyl)undecan-1-one
CID 63409592
1-(2-methylphenyl)nonan-1-one
CID 63409672
4-methyl-3-prop-1-en-2-yl-1H-indole
CID 143884090
(2-ethoxyphenyl)-(4-methyl-1H-indol-3-yl)methanone
CID 43341913

Frequently Asked Questions

What is the IUPAC name of 1-(4-methyl-1H-indol-3-yl)pentan-1-one?
The IUPAC name of 1-(4-methyl-1H-indol-3-yl)pentan-1-one (CID 43163359) is 1-(4-methyl-1H-indol-3-yl)pentan-1-one.
What is the SMILES notation for 1-(4-methyl-1H-indol-3-yl)pentan-1-one?
The canonical SMILES for 1-(4-methyl-1H-indol-3-yl)pentan-1-one is CCCCC(=O)c1c[nH]c2cccc(C)c12.
What is the InChIKey of 1-(4-methyl-1H-indol-3-yl)pentan-1-one?
The InChIKey is HZCHCQBAYLENOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO/c1-3-4-8-13(16)11-9-15-12-7-5-6-10(2)14(11)12/h5-7,9,15H,3-4,8H2,1-2H3.
What are the key properties of 1-(4-methyl-1H-indol-3-yl)pentan-1-one?
1-(4-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-(4-methyl-1H-indol-3-yl)pentan-1-one is sourced from PubChem (CID 43163359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).