N-(1-acetylazetidin-3-yl)prop-2-enamide

C8H12N2O2 — CID 131086103

IUPACN-(1-acetylazetidin-3-yl)prop-2-enamide
SMILESC=CC(=O)NC1CN(C(C)=O)C1
InChIInChI=1S/C8H12N2O2/c1-3-8(12)9-7-4-10(5-7)6(2)11/h3,7H,1,4-5H2,2H3,(H,9,12)
InChIKeySMGSNTJOAKBWGB-UHFFFAOYSA-N
MW168.20 g/mol
LogP-0.48
Rot. Bonds2

About N-(1-acetylazetidin-3-yl)prop-2-enamide

N-(1-acetylazetidin-3-yl)prop-2-enamide (PubChem CID 131086103) has the molecular formula C8H12N2O2 and a molecular weight of 168.20 g/mol. Its IUPAC name is N-(1-acetylazetidin-3-yl)prop-2-enamide.

Molecular Properties

Compound NameN-(1-acetylazetidin-3-yl)prop-2-enamide
PubChem CID131086103
Molecular FormulaC8H12N2O2
Molecular Weight168.20 g/mol
Exact Mass168.09
IUPAC NameN-(1-acetylazetidin-3-yl)prop-2-enamide
SMILESC=CC(=O)NC1CN(C(C)=O)C1
InChIInChI=1S/C8H12N2O2/c1-3-8(12)9-7-4-10(5-7)6(2)11/h3,7H,1,4-5H2,2H3,(H,9,12)
InChIKeySMGSNTJOAKBWGB-UHFFFAOYSA-N
XLogP-0.48
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 5-0.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(1-acetylazetidin-3-yl)prop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(1-acetylazetidin-3-yl)prop-2-enamide?
The IUPAC name of N-(1-acetylazetidin-3-yl)prop-2-enamide (CID 131086103) is N-(1-acetylazetidin-3-yl)prop-2-enamide.
What is the SMILES notation for N-(1-acetylazetidin-3-yl)prop-2-enamide?
The canonical SMILES for N-(1-acetylazetidin-3-yl)prop-2-enamide is C=CC(=O)NC1CN(C(C)=O)C1.
What is the InChIKey of N-(1-acetylazetidin-3-yl)prop-2-enamide?
The InChIKey is SMGSNTJOAKBWGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2/c1-3-8(12)9-7-4-10(5-7)6(2)11/h3,7H,1,4-5H2,2H3,(H,9,12).
What are the key properties of N-(1-acetylazetidin-3-yl)prop-2-enamide?
N-(1-acetylazetidin-3-yl)prop-2-enamide has a molecular weight of 168.20 g/mol, XLogP of -0.48, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-acetylazetidin-3-yl)prop-2-enamide is sourced from PubChem (CID 131086103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).