N-[2-(2-oxopyrrolidin-1-yl)ethyl]prop-2-enamide

C9H14N2O2 — CID 20567304

IUPACN-[2-(2-oxopyrrolidin-1-yl)ethyl]prop-2-enamide
SMILESC=CC(=O)NCCN1CCCC1=O
InChIInChI=1S/C9H14N2O2/c1-2-8(12)10-5-7-11-6-3-4-9(11)13/h2H,1,3-7H2,(H,10,12)
InChIKeySSJHUTGLJFBFEW-UHFFFAOYSA-N
MW182.22 g/mol
LogP-0.09
Rot. Bonds4

About N-[2-(2-oxopyrrolidin-1-yl)ethyl]prop-2-enamide

N-[2-(2-oxopyrrolidin-1-yl)ethyl]prop-2-enamide (PubChem CID 20567304) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is N-[2-(2-oxopyrrolidin-1-yl)ethyl]prop-2-enamide.

Molecular Properties

Compound NameN-[2-(2-oxopyrrolidin-1-yl)ethyl]prop-2-enamide
PubChem CID20567304
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC NameN-[2-(2-oxopyrrolidin-1-yl)ethyl]prop-2-enamide
SMILESC=CC(=O)NCCN1CCCC1=O
InChIInChI=1S/C9H14N2O2/c1-2-8(12)10-5-7-11-6-3-4-9(11)13/h2H,1,3-7H2,(H,10,12)
InChIKeySSJHUTGLJFBFEW-UHFFFAOYSA-N
XLogP-0.09
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 5-0.09
H-Bond Donors ≤ 51
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-[2-(2-oxopyrrolidin-1-yl)ethyl]prop-2-enamide?
The IUPAC name of N-[2-(2-oxopyrrolidin-1-yl)ethyl]prop-2-enamide (CID 20567304) is N-[2-(2-oxopyrrolidin-1-yl)ethyl]prop-2-enamide.
What is the SMILES notation for N-[2-(2-oxopyrrolidin-1-yl)ethyl]prop-2-enamide?
The canonical SMILES for N-[2-(2-oxopyrrolidin-1-yl)ethyl]prop-2-enamide is C=CC(=O)NCCN1CCCC1=O.
What is the InChIKey of N-[2-(2-oxopyrrolidin-1-yl)ethyl]prop-2-enamide?
The InChIKey is SSJHUTGLJFBFEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2/c1-2-8(12)10-5-7-11-6-3-4-9(11)13/h2H,1,3-7H2,(H,10,12).
What are the key properties of N-[2-(2-oxopyrrolidin-1-yl)ethyl]prop-2-enamide?
N-[2-(2-oxopyrrolidin-1-yl)ethyl]prop-2-enamide has a molecular weight of 182.22 g/mol, XLogP of -0.09, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-oxopyrrolidin-1-yl)ethyl]prop-2-enamide is sourced from PubChem (CID 20567304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).