1-(1H-indol-5-yl)-4-methylpentan-3-one

C14H17NO — CID 22572822

IUPAC1-(1H-indol-5-yl)-4-methylpentan-3-one
SMILESCC(C)C(=O)CCc1ccc2[nH]ccc2c1
InChIInChI=1S/C14H17NO/c1-10(2)14(16)6-4-11-3-5-13-12(9-11)7-8-15-13/h3,5,7-10,15H,4,6H2,1-2H3
InChIKeyBCGITFKXGCAKRV-UHFFFAOYSA-N
MW215.30 g/mol
LogP3.33
Rot. Bonds4

About 1-(1H-indol-5-yl)-4-methylpentan-3-one

1-(1H-indol-5-yl)-4-methylpentan-3-one (PubChem CID 22572822) 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-3-one.

Molecular Properties

Compound Name1-(1H-indol-5-yl)-4-methylpentan-3-one
PubChem CID22572822
Molecular FormulaC14H17NO
Molecular Weight215.30 g/mol
Exact Mass215.13
IUPAC Name1-(1H-indol-5-yl)-4-methylpentan-3-one
SMILESCC(C)C(=O)CCc1ccc2[nH]ccc2c1
InChIInChI=1S/C14H17NO/c1-10(2)14(16)6-4-11-3-5-13-12(9-11)7-8-15-13/h3,5,7-10,15H,4,6H2,1-2H3
InChIKeyBCGITFKXGCAKRV-UHFFFAOYSA-N
XLogP3.33
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 ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-[3-(1H-indol-5-yl)propanoylamino]butanoic acid
CID 120522675
ethyl 3-(1H-indol-5-yl)propanoate
CID 73357468
methyl (2S)-2-[3-(1H-indol-5-yl)propanoylamino]propanoate
CID 84598942
5-(4-methylpentyl)-1H-indole
CID 143660626
N-(2-hydroxypropyl)-2-(1H-indol-5-yl)acetamide
CID 84577469
4-[4-[2-(1H-indol-5-yl)ethoxy]phenyl]butan-2-one
CID 175853816
methyl 2-(1H-indol-5-yl)acetate
CID 43831379
1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-3-(1H-indol-5-yl)propan-1-one
CID 110023702
2-[ethyl-[3-(1H-indol-5-yl)propanoyl]amino]acetic acid
CID 120519645
3-(1H-indol-5-yl)-N-methyl-N-(1-methylpiperidin-4-yl)propanamide
CID 75444249
5-pent-3-enyl-1H-indole
CID 54525376
2-(1H-indol-5-yl)-N-methylethanamine
CID 82374641

Frequently Asked Questions

What is the IUPAC name of 1-(1H-indol-5-yl)-4-methylpentan-3-one?
The IUPAC name of 1-(1H-indol-5-yl)-4-methylpentan-3-one (CID 22572822) is 1-(1H-indol-5-yl)-4-methylpentan-3-one.
What is the SMILES notation for 1-(1H-indol-5-yl)-4-methylpentan-3-one?
The canonical SMILES for 1-(1H-indol-5-yl)-4-methylpentan-3-one is CC(C)C(=O)CCc1ccc2[nH]ccc2c1.
What is the InChIKey of 1-(1H-indol-5-yl)-4-methylpentan-3-one?
The InChIKey is BCGITFKXGCAKRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO/c1-10(2)14(16)6-4-11-3-5-13-12(9-11)7-8-15-13/h3,5,7-10,15H,4,6H2,1-2H3.
What are the key properties of 1-(1H-indol-5-yl)-4-methylpentan-3-one?
1-(1H-indol-5-yl)-4-methylpentan-3-one has a molecular weight of 215.30 g/mol, XLogP of 3.33, 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-3-one is sourced from PubChem (CID 22572822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).