N-[3-(2-oxopyrrolidin-1-yl)propyl]prop-2-enamide

C10H16N2O2 — CID 43616623

IUPACN-[3-(2-oxopyrrolidin-1-yl)propyl]prop-2-enamide
SMILESC=CC(=O)NCCCN1CCCC1=O
InChIInChI=1S/C10H16N2O2/c1-2-9(13)11-6-4-8-12-7-3-5-10(12)14/h2H,1,3-8H2,(H,11,13)
InChIKeyGXAZXXLGGMLIRR-UHFFFAOYSA-N
MW196.25 g/mol
LogP0.30
Rot. Bonds5

About N-[3-(2-oxopyrrolidin-1-yl)propyl]prop-2-enamide

N-[3-(2-oxopyrrolidin-1-yl)propyl]prop-2-enamide (PubChem CID 43616623) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is N-[3-(2-oxopyrrolidin-1-yl)propyl]prop-2-enamide.

Molecular Properties

Compound NameN-[3-(2-oxopyrrolidin-1-yl)propyl]prop-2-enamide
PubChem CID43616623
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC NameN-[3-(2-oxopyrrolidin-1-yl)propyl]prop-2-enamide
SMILESC=CC(=O)NCCCN1CCCC1=O
InChIInChI=1S/C10H16N2O2/c1-2-9(13)11-6-4-8-12-7-3-5-10(12)14/h2H,1,3-8H2,(H,11,13)
InChIKeyGXAZXXLGGMLIRR-UHFFFAOYSA-N
XLogP0.30
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-(2-oxopyrrolidin-1-yl)propyl]prop-2-enamide?
The IUPAC name of N-[3-(2-oxopyrrolidin-1-yl)propyl]prop-2-enamide (CID 43616623) is N-[3-(2-oxopyrrolidin-1-yl)propyl]prop-2-enamide.
What is the SMILES notation for N-[3-(2-oxopyrrolidin-1-yl)propyl]prop-2-enamide?
The canonical SMILES for N-[3-(2-oxopyrrolidin-1-yl)propyl]prop-2-enamide is C=CC(=O)NCCCN1CCCC1=O.
What is the InChIKey of N-[3-(2-oxopyrrolidin-1-yl)propyl]prop-2-enamide?
The InChIKey is GXAZXXLGGMLIRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-2-9(13)11-6-4-8-12-7-3-5-10(12)14/h2H,1,3-8H2,(H,11,13).
What are the key properties of N-[3-(2-oxopyrrolidin-1-yl)propyl]prop-2-enamide?
N-[3-(2-oxopyrrolidin-1-yl)propyl]prop-2-enamide has a molecular weight of 196.25 g/mol, XLogP of 0.30, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-oxopyrrolidin-1-yl)propyl]prop-2-enamide is sourced from PubChem (CID 43616623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).