2-(azetidin-3-ylidene)-N-[(1-methylpyrrolidin-2-yl)methyl]propanamide

C12H21N3O — CID 106026156

IUPAC2-(azetidin-3-ylidene)-N-[(1-methylpyrrolidin-2-yl)methyl]propanamide
SMILESCC(C(=O)NCC1CCCN1C)=C1CNC1
InChIInChI=1S/C12H21N3O/c1-9(10-6-13-7-10)12(16)14-8-11-4-3-5-15(11)2/h11,13H,3-8H2,1-2H3,(H,14,16)
InChIKeyRHSMOSUUAXFILS-UHFFFAOYSA-N
MW223.32 g/mol
LogP0.12
Rot. Bonds3

About 2-(azetidin-3-ylidene)-N-[(1-methylpyrrolidin-2-yl)methyl]propanamide

2-(azetidin-3-ylidene)-N-[(1-methylpyrrolidin-2-yl)methyl]propanamide (PubChem CID 106026156) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 2-(azetidin-3-ylidene)-N-[(1-methylpyrrolidin-2-yl)methyl]propanamide.

Molecular Properties

Compound Name2-(azetidin-3-ylidene)-N-[(1-methylpyrrolidin-2-yl)methyl]propanamide
PubChem CID106026156
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name2-(azetidin-3-ylidene)-N-[(1-methylpyrrolidin-2-yl)methyl]propanamide
SMILESCC(C(=O)NCC1CCCN1C)=C1CNC1
InChIInChI=1S/C12H21N3O/c1-9(10-6-13-7-10)12(16)14-8-11-4-3-5-15(11)2/h11,13H,3-8H2,1-2H3,(H,14,16)
InChIKeyRHSMOSUUAXFILS-UHFFFAOYSA-N
XLogP0.12
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(azetidin-3-ylidene)-N-[(1-methylpyrrolidin-2-yl)methyl]propanamide 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 2-(azetidin-3-ylidene)-N-[(1-methylpyrrolidin-2-yl)methyl]propanamide?
The IUPAC name of 2-(azetidin-3-ylidene)-N-[(1-methylpyrrolidin-2-yl)methyl]propanamide (CID 106026156) is 2-(azetidin-3-ylidene)-N-[(1-methylpyrrolidin-2-yl)methyl]propanamide.
What is the SMILES notation for 2-(azetidin-3-ylidene)-N-[(1-methylpyrrolidin-2-yl)methyl]propanamide?
The canonical SMILES for 2-(azetidin-3-ylidene)-N-[(1-methylpyrrolidin-2-yl)methyl]propanamide is CC(C(=O)NCC1CCCN1C)=C1CNC1.
What is the InChIKey of 2-(azetidin-3-ylidene)-N-[(1-methylpyrrolidin-2-yl)methyl]propanamide?
The InChIKey is RHSMOSUUAXFILS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-9(10-6-13-7-10)12(16)14-8-11-4-3-5-15(11)2/h11,13H,3-8H2,1-2H3,(H,14,16).
What are the key properties of 2-(azetidin-3-ylidene)-N-[(1-methylpyrrolidin-2-yl)methyl]propanamide?
2-(azetidin-3-ylidene)-N-[(1-methylpyrrolidin-2-yl)methyl]propanamide has a molecular weight of 223.32 g/mol, XLogP of 0.12, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-ylidene)-N-[(1-methylpyrrolidin-2-yl)methyl]propanamide is sourced from PubChem (CID 106026156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).