1-[(E)-hex-2-enoyl]pyrrolidine-2,4-dione

C10H13NO3 — CID 44514349

IUPAC1-[(E)-hex-2-enoyl]pyrrolidine-2,4-dione
SMILESCCC/C=C/C(=O)N1CC(=O)CC1=O
InChIInChI=1S/C10H13NO3/c1-2-3-4-5-9(13)11-7-8(12)6-10(11)14/h4-5H,2-3,6-7H2,1H3/b5-4+
InChIKeyVBXAYTTZLDSDAL-SNAWJCMRSA-N
MW195.22 g/mol
LogP0.67
Rot. Bonds3

About 1-[(E)-hex-2-enoyl]pyrrolidine-2,4-dione

1-[(E)-hex-2-enoyl]pyrrolidine-2,4-dione (PubChem CID 44514349) has the molecular formula C10H13NO3 and a molecular weight of 195.22 g/mol. Its IUPAC name is 1-[(E)-hex-2-enoyl]pyrrolidine-2,4-dione.

Molecular Properties

Compound Name1-[(E)-hex-2-enoyl]pyrrolidine-2,4-dione
PubChem CID44514349
Molecular FormulaC10H13NO3
Molecular Weight195.22 g/mol
Exact Mass195.09
IUPAC Name1-[(E)-hex-2-enoyl]pyrrolidine-2,4-dione
SMILESCCC/C=C/C(=O)N1CC(=O)CC1=O
InChIInChI=1S/C10H13NO3/c1-2-3-4-5-9(13)11-7-8(12)6-10(11)14/h4-5H,2-3,6-7H2,1H3/b5-4+
InChIKeyVBXAYTTZLDSDAL-SNAWJCMRSA-N
XLogP0.67
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 50.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

1-propanoylpyrrolidine-2,4-dione
CID 90208032
1-pyrrol-1-ylhex-2-en-1-one
CID 72789565
(E)-1-morpholin-4-ylhex-2-en-1-one
CID 135042779
(E)-hex-2-enoic acid
CID 5282707
(4E,7E)-undeca-4,7-dien-6-one
CID 23366329
(E)-hex-2-enamide;hydrochloride
CID 141291310
docosakis(hex-2-enoic acid);phosphane
CID 174896095
(Z)-2,2-dimethyloct-4-en-3-one
CID 131248601
2,2-dimethyldec-6-en-5-one
CID 141426644
1-(3-methylpentan-3-yl)pyrrolidine-2,4-dione
CID 106329126
(4S)-3-[(E)-hex-2-enoyl]-4-phenyl-1,3-oxazolidin-2-one
CID 101031105
(E)-1-phenyloct-4-en-3-one
CID 12588926

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-hex-2-enoyl]pyrrolidine-2,4-dione?
The IUPAC name of 1-[(E)-hex-2-enoyl]pyrrolidine-2,4-dione (CID 44514349) is 1-[(E)-hex-2-enoyl]pyrrolidine-2,4-dione.
What is the SMILES notation for 1-[(E)-hex-2-enoyl]pyrrolidine-2,4-dione?
The canonical SMILES for 1-[(E)-hex-2-enoyl]pyrrolidine-2,4-dione is CCC/C=C/C(=O)N1CC(=O)CC1=O.
What is the InChIKey of 1-[(E)-hex-2-enoyl]pyrrolidine-2,4-dione?
The InChIKey is VBXAYTTZLDSDAL-SNAWJCMRSA-N. The full InChI is InChI=1S/C10H13NO3/c1-2-3-4-5-9(13)11-7-8(12)6-10(11)14/h4-5H,2-3,6-7H2,1H3/b5-4+.
What are the key properties of 1-[(E)-hex-2-enoyl]pyrrolidine-2,4-dione?
1-[(E)-hex-2-enoyl]pyrrolidine-2,4-dione has a molecular weight of 195.22 g/mol, XLogP of 0.67, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-hex-2-enoyl]pyrrolidine-2,4-dione is sourced from PubChem (CID 44514349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).