(3E)-3-[(E)-but-2-enylidene]pyrrolidin-2-one

C8H11NO — CID 23389008

IUPAC(3E)-3-[(E)-but-2-enylidene]pyrrolidin-2-one
SMILESC/C=C/C=C1\CCNC1=O
InChIInChI=1S/C8H11NO/c1-2-3-4-7-5-6-9-8(7)10/h2-4H,5-6H2,1H3,(H,9,10)/b3-2+,7-4+
InChIKeyNVBGQLLATYDJIW-AOGGBPEJSA-N
MW137.18 g/mol
LogP1.01
Rot. Bonds1

About (3E)-3-[(E)-but-2-enylidene]pyrrolidin-2-one

(3E)-3-[(E)-but-2-enylidene]pyrrolidin-2-one (PubChem CID 23389008) has the molecular formula C8H11NO and a molecular weight of 137.18 g/mol. Its IUPAC name is (3E)-3-[(E)-but-2-enylidene]pyrrolidin-2-one.

Molecular Properties

Compound Name(3E)-3-[(E)-but-2-enylidene]pyrrolidin-2-one
PubChem CID23389008
Molecular FormulaC8H11NO
Molecular Weight137.18 g/mol
Exact Mass137.08
IUPAC Name(3E)-3-[(E)-but-2-enylidene]pyrrolidin-2-one
SMILESC/C=C/C=C1\CCNC1=O
InChIInChI=1S/C8H11NO/c1-2-3-4-7-5-6-9-8(7)10/h2-4H,5-6H2,1H3,(H,9,10)/b3-2+,7-4+
InChIKeyNVBGQLLATYDJIW-AOGGBPEJSA-N
XLogP1.01
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.18
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-Ethylidenepyrrolidin-2-one
CID 20088381
3-Ethylidenepyrrolidin-2-one
CID 53701396
(3Z)-3-ethylidenepyrrolidin-2-one
CID 5317249
(Acetamidomethyl)cyclopentadiene
CID 13311389
Tetrahydroisoindolone
CID 90954841
2-methyl-N-(3-pyrrolidin-1-ylpropyl)pent-2-enamide
CID 72156044
4-(2-Fluorobut-2-enylidene)-5-methyl-3-methylidenepyrrolidin-2-one
CID 91323524
N-ethyl-4-fluorocyclohepta-1,3,5-triene-1-carboxamide
CID 143484621
(2Z)-2-[(E)-1-fluoroprop-1-enyl]-N-(2-pyrrolidin-1-ylethyl)penta-2,4-dienamide
CID 143656487
(2Z,3E)-2-ethylidene-3-fluoro-N-(2-pyrrolidin-1-ylethyl)hexa-3,5-dienamide
CID 143656495
CID 134862886
CID 134862886
(3E)-3-(2,5-dioxopyrrolidin-3-ylidene)-2-methyl-N-(2-methylpropyl)propanamide
CID 154709685

Frequently Asked Questions

What is the IUPAC name of (3E)-3-[(E)-but-2-enylidene]pyrrolidin-2-one?
The IUPAC name of (3E)-3-[(E)-but-2-enylidene]pyrrolidin-2-one (CID 23389008) is (3E)-3-[(E)-but-2-enylidene]pyrrolidin-2-one.
What is the SMILES notation for (3E)-3-[(E)-but-2-enylidene]pyrrolidin-2-one?
The canonical SMILES for (3E)-3-[(E)-but-2-enylidene]pyrrolidin-2-one is C/C=C/C=C1\CCNC1=O.
What is the InChIKey of (3E)-3-[(E)-but-2-enylidene]pyrrolidin-2-one?
The InChIKey is NVBGQLLATYDJIW-AOGGBPEJSA-N. The full InChI is InChI=1S/C8H11NO/c1-2-3-4-7-5-6-9-8(7)10/h2-4H,5-6H2,1H3,(H,9,10)/b3-2+,7-4+.
What are the key properties of (3E)-3-[(E)-but-2-enylidene]pyrrolidin-2-one?
(3E)-3-[(E)-but-2-enylidene]pyrrolidin-2-one has a molecular weight of 137.18 g/mol, XLogP of 1.01, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-[(E)-but-2-enylidene]pyrrolidin-2-one is sourced from PubChem (CID 23389008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).