1-(1-hydroxyhexyl)pyrrolidine-2,5-dione

C10H17NO3 — CID 18781486

IUPAC1-(1-hydroxyhexyl)pyrrolidine-2,5-dione
SMILESCCCCCC(O)N1C(=O)CCC1=O
InChIInChI=1S/C10H17NO3/c1-2-3-4-5-8(12)11-9(13)6-7-10(11)14/h8,12H,2-7H2,1H3
InChIKeyYCUZAZKKYFXBMA-UHFFFAOYSA-N
MW199.25 g/mol
LogP1.03
Rot. Bonds5

About 1-(1-hydroxyhexyl)pyrrolidine-2,5-dione

1-(1-hydroxyhexyl)pyrrolidine-2,5-dione (PubChem CID 18781486) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is 1-(1-hydroxyhexyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(1-hydroxyhexyl)pyrrolidine-2,5-dione
PubChem CID18781486
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Name1-(1-hydroxyhexyl)pyrrolidine-2,5-dione
SMILESCCCCCC(O)N1C(=O)CCC1=O
InChIInChI=1S/C10H17NO3/c1-2-3-4-5-8(12)11-9(13)6-7-10(11)14/h8,12H,2-7H2,1H3
InChIKeyYCUZAZKKYFXBMA-UHFFFAOYSA-N
XLogP1.03
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(1-hydroxyhexyl)pyrrolidine-2,5-dione 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

1-[(2S)-1-hydroxypentan-2-yl]pyrrolidine-2,5-dione
CID 134877095
1-(2-Hydroxyheptyl)pyrrolidine-2,5-dione
CID 10398306
1-(6-Pentoxyhexyl)pyrrolidin-2-one
CID 14625953
1-(2-Hydroxyethyl)-1-octylpyrrolidin-1-ium-2,5-dione
CID 19380791
1-(5-Hydroxypentyl)-3,3-dimethylpyrrolidine-2,5-dione
CID 57186094
1-(8-Hydroxyoctyl)pyrrolidin-2-one
CID 57241755
3-Ethyl-1-(6-hydroxyhexyl)-3-methylpyrrolidine-2,5-dione
CID 57319175
6-hydroxy-N-methyl-N-propylhexanamide
CID 58012568
1-(5-Hydroxypentyl)-3-methylpyrrolidine-2,5-dione
CID 58331313
1-(6-Hydroxyheptan-3-yl)pyrrolidin-2-one
CID 60086961
1-(5-Hydroxypentyl)pyrrolidine-2,5-dione
CID 62228424
1-(5-Hydroxypentyl)pyrrolidin-2-one
CID 62228622

Frequently Asked Questions

What is the IUPAC name of 1-(1-hydroxyhexyl)pyrrolidine-2,5-dione?
The IUPAC name of 1-(1-hydroxyhexyl)pyrrolidine-2,5-dione (CID 18781486) is 1-(1-hydroxyhexyl)pyrrolidine-2,5-dione.
What is the SMILES notation for 1-(1-hydroxyhexyl)pyrrolidine-2,5-dione?
The canonical SMILES for 1-(1-hydroxyhexyl)pyrrolidine-2,5-dione is CCCCCC(O)N1C(=O)CCC1=O.
What is the InChIKey of 1-(1-hydroxyhexyl)pyrrolidine-2,5-dione?
The InChIKey is YCUZAZKKYFXBMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO3/c1-2-3-4-5-8(12)11-9(13)6-7-10(11)14/h8,12H,2-7H2,1H3.
What are the key properties of 1-(1-hydroxyhexyl)pyrrolidine-2,5-dione?
1-(1-hydroxyhexyl)pyrrolidine-2,5-dione has a molecular weight of 199.25 g/mol, XLogP of 1.03, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-hydroxyhexyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 18781486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).