1-heptyl-2-hydroxy-2H-pyrrol-5-one

C11H19NO2 — CID 14479801

IUPAC1-heptyl-2-hydroxy-2H-pyrrol-5-one
SMILESCCCCCCCN1C(=O)C=CC1O
InChIInChI=1S/C11H19NO2/c1-2-3-4-5-6-9-12-10(13)7-8-11(12)14/h7-8,10,13H,2-6,9H2,1H3
InChIKeyIIWGZFRIVJNHDH-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.67
Rot. Bonds6

About 1-heptyl-2-hydroxy-2H-pyrrol-5-one

1-heptyl-2-hydroxy-2H-pyrrol-5-one (PubChem CID 14479801) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is 1-heptyl-2-hydroxy-2H-pyrrol-5-one.

Molecular Properties

Compound Name1-heptyl-2-hydroxy-2H-pyrrol-5-one
PubChem CID14479801
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name1-heptyl-2-hydroxy-2H-pyrrol-5-one
SMILESCCCCCCCN1C(=O)C=CC1O
InChIInChI=1S/C11H19NO2/c1-2-3-4-5-6-9-12-10(13)7-8-11(12)14/h7-8,10,13H,2-6,9H2,1H3
InChIKeyIIWGZFRIVJNHDH-UHFFFAOYSA-N
XLogP1.67
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-heptyl-2-hydroxy-2H-pyrrol-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-hydroxy-1-propyl-2H-pyrrol-5-one
CID 135175817
4-(2-hydroxy-5-oxo-2H-pyrrol-1-yl)-N-(3-methylbutyl)butanamide
CID 130219582
2-hydroxy-1-[5-methylidene-7-(methylideneamino)heptyl]-2H-pyrrol-5-one
CID 163526522
1-hexadecylpyrrole-2,5-dione
CID 4526314
1-(3-amino-3-hydroxypropyl)-2-hydroxy-2H-pyrrol-5-one
CID 126589528
1-[2-(4,4-dimethyl-3-oxopentoxy)ethyl]-2-hydroxy-2H-pyrrol-5-one
CID 167176025
4-cyano-4-dodecylsulfanylcarbothioylsulfanyl-N-[2-(2-hydroxy-5-oxo-2H-pyrrol-1-yl)ethyl]pentanamide
CID 166529774
(3R,4R)-3,4-dihydroxy-1-octylpyrrolidine-2,5-dione
CID 14669715
5-hydroxy-1-pentylpyrrolidin-2-one
CID 14686205
3-butyl-1-heptylaziridin-2-one
CID 23178730
[2-chloro-6-[4-(2-hydroxy-5-oxo-2H-pyrrol-1-yl)butylcarbamoyl]-7-oxophenoxazin-3-yl] octanoate
CID 139452025
(2S,3R)-1-dodecyl-5-oxo-2-phenylpyrrolidine-3-carboxylic acid
CID 99119850

Frequently Asked Questions

What is the IUPAC name of 1-heptyl-2-hydroxy-2H-pyrrol-5-one?
The IUPAC name of 1-heptyl-2-hydroxy-2H-pyrrol-5-one (CID 14479801) is 1-heptyl-2-hydroxy-2H-pyrrol-5-one.
What is the SMILES notation for 1-heptyl-2-hydroxy-2H-pyrrol-5-one?
The canonical SMILES for 1-heptyl-2-hydroxy-2H-pyrrol-5-one is CCCCCCCN1C(=O)C=CC1O.
What is the InChIKey of 1-heptyl-2-hydroxy-2H-pyrrol-5-one?
The InChIKey is IIWGZFRIVJNHDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2/c1-2-3-4-5-6-9-12-10(13)7-8-11(12)14/h7-8,10,13H,2-6,9H2,1H3.
What are the key properties of 1-heptyl-2-hydroxy-2H-pyrrol-5-one?
1-heptyl-2-hydroxy-2H-pyrrol-5-one has a molecular weight of 197.28 g/mol, XLogP of 1.67, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-heptyl-2-hydroxy-2H-pyrrol-5-one is sourced from PubChem (CID 14479801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).