1-[(E)-hex-2-enoyl]pyrrolidine-2,5-dione

C10H13NO3 — CID 10821675

IUPAC1-[(E)-hex-2-enoyl]pyrrolidine-2,5-dione
SMILESCCC/C=C/C(=O)N1C(=O)CCC1=O
InChIInChI=1S/C10H13NO3/c1-2-3-4-5-8(12)11-9(13)6-7-10(11)14/h4-5H,2-3,6-7H2,1H3/b5-4+
InChIKeyKRBHJKSJJZERGV-SNAWJCMRSA-N
MW195.22 g/mol
LogP1.02
Rot. Bonds3

About 1-[(E)-hex-2-enoyl]pyrrolidine-2,5-dione

1-[(E)-hex-2-enoyl]pyrrolidine-2,5-dione (PubChem CID 10821675) has the molecular formula C10H13NO3 and a molecular weight of 195.22 g/mol. Its IUPAC name is 1-[(E)-hex-2-enoyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[(E)-hex-2-enoyl]pyrrolidine-2,5-dione
PubChem CID10821675
Molecular FormulaC10H13NO3
Molecular Weight195.22 g/mol
Exact Mass195.09
IUPAC Name1-[(E)-hex-2-enoyl]pyrrolidine-2,5-dione
SMILESCCC/C=C/C(=O)N1C(=O)CCC1=O
InChIInChI=1S/C10H13NO3/c1-2-3-4-5-8(12)11-9(13)6-7-10(11)14/h4-5H,2-3,6-7H2,1H3/b5-4+
InChIKeyKRBHJKSJJZERGV-SNAWJCMRSA-N
XLogP1.02
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 ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

Succinimide, N-(E-2-buten-1-one-1-yl)-
CID 5366087
1-[(E)-4-methylpent-2-enoyl]pyrrolidin-2-one
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1-[(E)-oct-2-en-6-ynoyl]pyrrolidin-2-one
CID 11458389
1-But-2-enoylpyrrolidine-2,5-dione
CID 550411
(3E)-1-ethyl-3-ethylidenepyrrolidine-2,5-dione
CID 12122746
(3E)-3-ethylidene-1-methylpyrrolidine-2,5-dione
CID 20583994
3-Butylidenesuccinimide
CID 57055835
(3Z)-3-ethylidene-1-methylpyrrolidine-2,5-dione
CID 59062085
(3Z)-3-butylidenepyrrolidine-2,5-dione
CID 66766808
3-Ethylidene-1-methylpyrrolidine-2,5-dione
CID 71391393
1-Pent-2-enoylpyrrolidin-2-one
CID 85780468
(3E)-1-methyl-3-(2-methylpropylidene)pyrrolidine-2,5-dione
CID 121406175

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-hex-2-enoyl]pyrrolidine-2,5-dione?
The IUPAC name of 1-[(E)-hex-2-enoyl]pyrrolidine-2,5-dione (CID 10821675) is 1-[(E)-hex-2-enoyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-[(E)-hex-2-enoyl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-[(E)-hex-2-enoyl]pyrrolidine-2,5-dione is CCC/C=C/C(=O)N1C(=O)CCC1=O.
What is the InChIKey of 1-[(E)-hex-2-enoyl]pyrrolidine-2,5-dione?
The InChIKey is KRBHJKSJJZERGV-SNAWJCMRSA-N. The full InChI is InChI=1S/C10H13NO3/c1-2-3-4-5-8(12)11-9(13)6-7-10(11)14/h4-5H,2-3,6-7H2,1H3/b5-4+.
What are the key properties of 1-[(E)-hex-2-enoyl]pyrrolidine-2,5-dione?
1-[(E)-hex-2-enoyl]pyrrolidine-2,5-dione has a molecular weight of 195.22 g/mol, XLogP of 1.02, 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-2,5-dione is sourced from PubChem (CID 10821675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).