3-hex-1-enyl-3-(2-hydroxyethyl)pyrrolidine-2,5-dione

C12H19NO3 — CID 174864859

IUPAC3-hex-1-enyl-3-(2-hydroxyethyl)pyrrolidine-2,5-dione
SMILESCCCCC=CC1(CCO)CC(=O)NC1=O
InChIInChI=1S/C12H19NO3/c1-2-3-4-5-6-12(7-8-14)9-10(15)13-11(12)16/h5-6,14H,2-4,7-9H2,1H3,(H,13,15,16)
InChIKeyYEGYRMUZFUGKJH-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.15
Rot. Bonds6

About 3-hex-1-enyl-3-(2-hydroxyethyl)pyrrolidine-2,5-dione

3-hex-1-enyl-3-(2-hydroxyethyl)pyrrolidine-2,5-dione (PubChem CID 174864859) has the molecular formula C12H19NO3 and a molecular weight of 225.29 g/mol. Its IUPAC name is 3-hex-1-enyl-3-(2-hydroxyethyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-hex-1-enyl-3-(2-hydroxyethyl)pyrrolidine-2,5-dione
PubChem CID174864859
Molecular FormulaC12H19NO3
Molecular Weight225.29 g/mol
Exact Mass225.14
IUPAC Name3-hex-1-enyl-3-(2-hydroxyethyl)pyrrolidine-2,5-dione
SMILESCCCCC=CC1(CCO)CC(=O)NC1=O
InChIInChI=1S/C12H19NO3/c1-2-3-4-5-6-12(7-8-14)9-10(15)13-11(12)16/h5-6,14H,2-4,7-9H2,1H3,(H,13,15,16)
InChIKeyYEGYRMUZFUGKJH-UHFFFAOYSA-N
XLogP1.15
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-hydroxy-3-oct-1-enylpyrrolidine-2,5-dione
CID 70179423
3-hydroxy-3-tetradecylpyrrolidine-2,5-dione
CID 139791197
azane;3-butyl-3-chloropyrrolidine-2,5-dione
CID 18612356
3-hydroxy-3-[(E)-oct-1-enyl]-1,6-dioxecane-2,5,7,10-tetrone
CID 139778450
(E)-heptadec-12-en-1-ol
CID 87814318
(3E,5E)-deca-3,5-dien-1-ol
CID 118460601
propanoic acid;(Z)-tetradec-9-en-1-ol
CID 175420248
formic acid;non-3-en-1-ol
CID 173228123
3,3-bis(dodec-1-enyl)oxolane-2,5-dione
CID 142724191
6-[(E)-non-4-enyl]-3,4-dihydro-1H-pyridin-2-one
CID 134894496
3-(3-aminopropyl)-3-methylpyrrolidine-2,5-dione
CID 23162784
9H-fluoren-9-ylmethyl 2,5-dioxo-3-pentylpyrrolidine-3-carboxylate
CID 175388554

Frequently Asked Questions

What is the IUPAC name of 3-hex-1-enyl-3-(2-hydroxyethyl)pyrrolidine-2,5-dione?
The IUPAC name of 3-hex-1-enyl-3-(2-hydroxyethyl)pyrrolidine-2,5-dione (CID 174864859) is 3-hex-1-enyl-3-(2-hydroxyethyl)pyrrolidine-2,5-dione.
What is the SMILES notation for 3-hex-1-enyl-3-(2-hydroxyethyl)pyrrolidine-2,5-dione?
The canonical SMILES for 3-hex-1-enyl-3-(2-hydroxyethyl)pyrrolidine-2,5-dione is CCCCC=CC1(CCO)CC(=O)NC1=O.
What is the InChIKey of 3-hex-1-enyl-3-(2-hydroxyethyl)pyrrolidine-2,5-dione?
The InChIKey is YEGYRMUZFUGKJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO3/c1-2-3-4-5-6-12(7-8-14)9-10(15)13-11(12)16/h5-6,14H,2-4,7-9H2,1H3,(H,13,15,16).
What are the key properties of 3-hex-1-enyl-3-(2-hydroxyethyl)pyrrolidine-2,5-dione?
3-hex-1-enyl-3-(2-hydroxyethyl)pyrrolidine-2,5-dione has a molecular weight of 225.29 g/mol, XLogP of 1.15, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hex-1-enyl-3-(2-hydroxyethyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 174864859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).