2-[(2-oxopyrrolidin-1-yl)methylidene]pent-4-enamide

C10H14N2O2 — CID 54003852

IUPAC2-[(2-oxopyrrolidin-1-yl)methylidene]pent-4-enamide
SMILESC=CCC(=CN1CCCC1=O)C(N)=O
InChIInChI=1S/C10H14N2O2/c1-2-4-8(10(11)14)7-12-6-3-5-9(12)13/h2,7H,1,3-6H2,(H2,11,14)
InChIKeyCDHABVWTKITTHP-UHFFFAOYSA-N
MW194.23 g/mol
LogP0.55
Rot. Bonds4

About 2-[(2-oxopyrrolidin-1-yl)methylidene]pent-4-enamide

2-[(2-oxopyrrolidin-1-yl)methylidene]pent-4-enamide (PubChem CID 54003852) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is 2-[(2-oxopyrrolidin-1-yl)methylidene]pent-4-enamide.

Molecular Properties

Compound Name2-[(2-oxopyrrolidin-1-yl)methylidene]pent-4-enamide
PubChem CID54003852
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Name2-[(2-oxopyrrolidin-1-yl)methylidene]pent-4-enamide
SMILESC=CCC(=CN1CCCC1=O)C(N)=O
InChIInChI=1S/C10H14N2O2/c1-2-4-8(10(11)14)7-12-6-3-5-9(12)13/h2,7H,1,3-6H2,(H2,11,14)
InChIKeyCDHABVWTKITTHP-UHFFFAOYSA-N
XLogP0.55
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-oxopyrrolidin-1-yl)methylidene]pent-4-enamide?
The IUPAC name of 2-[(2-oxopyrrolidin-1-yl)methylidene]pent-4-enamide (CID 54003852) is 2-[(2-oxopyrrolidin-1-yl)methylidene]pent-4-enamide.
What is the SMILES notation for 2-[(2-oxopyrrolidin-1-yl)methylidene]pent-4-enamide?
The canonical SMILES for 2-[(2-oxopyrrolidin-1-yl)methylidene]pent-4-enamide is C=CCC(=CN1CCCC1=O)C(N)=O.
What is the InChIKey of 2-[(2-oxopyrrolidin-1-yl)methylidene]pent-4-enamide?
The InChIKey is CDHABVWTKITTHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2/c1-2-4-8(10(11)14)7-12-6-3-5-9(12)13/h2,7H,1,3-6H2,(H2,11,14).
What are the key properties of 2-[(2-oxopyrrolidin-1-yl)methylidene]pent-4-enamide?
2-[(2-oxopyrrolidin-1-yl)methylidene]pent-4-enamide has a molecular weight of 194.23 g/mol, XLogP of 0.55, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-oxopyrrolidin-1-yl)methylidene]pent-4-enamide is sourced from PubChem (CID 54003852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).