N-(5-oxopyrrolidin-3-yl)prop-2-enamide

C7H10N2O2 — CID 106186067

IUPACN-(5-oxopyrrolidin-3-yl)prop-2-enamide
SMILESC=CC(=O)NC1CNC(=O)C1
InChIInChI=1S/C7H10N2O2/c1-2-6(10)9-5-3-7(11)8-4-5/h2,5H,1,3-4H2,(H,8,11)(H,9,10)
InChIKeyWUANFSSGQPUZDF-UHFFFAOYSA-N
MW154.17 g/mol
LogP-0.82
Rot. Bonds2

About N-(5-oxopyrrolidin-3-yl)prop-2-enamide

N-(5-oxopyrrolidin-3-yl)prop-2-enamide (PubChem CID 106186067) has the molecular formula C7H10N2O2 and a molecular weight of 154.17 g/mol. Its IUPAC name is N-(5-oxopyrrolidin-3-yl)prop-2-enamide.

Molecular Properties

Compound NameN-(5-oxopyrrolidin-3-yl)prop-2-enamide
PubChem CID106186067
Molecular FormulaC7H10N2O2
Molecular Weight154.17 g/mol
Exact Mass154.07
IUPAC NameN-(5-oxopyrrolidin-3-yl)prop-2-enamide
SMILESC=CC(=O)NC1CNC(=O)C1
InChIInChI=1S/C7H10N2O2/c1-2-6(10)9-5-3-7(11)8-4-5/h2,5H,1,3-4H2,(H,8,11)(H,9,10)
InChIKeyWUANFSSGQPUZDF-UHFFFAOYSA-N
XLogP-0.82
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.17
LogP ≤ 5-0.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(5-oxopyrrolidin-3-yl)prop-2-enamide?
The IUPAC name of N-(5-oxopyrrolidin-3-yl)prop-2-enamide (CID 106186067) is N-(5-oxopyrrolidin-3-yl)prop-2-enamide.
What is the SMILES notation for N-(5-oxopyrrolidin-3-yl)prop-2-enamide?
The canonical SMILES for N-(5-oxopyrrolidin-3-yl)prop-2-enamide is C=CC(=O)NC1CNC(=O)C1.
What is the InChIKey of N-(5-oxopyrrolidin-3-yl)prop-2-enamide?
The InChIKey is WUANFSSGQPUZDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2/c1-2-6(10)9-5-3-7(11)8-4-5/h2,5H,1,3-4H2,(H,8,11)(H,9,10).
What are the key properties of N-(5-oxopyrrolidin-3-yl)prop-2-enamide?
N-(5-oxopyrrolidin-3-yl)prop-2-enamide has a molecular weight of 154.17 g/mol, XLogP of -0.82, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-oxopyrrolidin-3-yl)prop-2-enamide is sourced from PubChem (CID 106186067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).