2-(azetidin-3-ylidene)-N-[(1R)-1-(furan-2-yl)ethyl]propanamide

C12H16N2O2 — CID 104892386

IUPAC2-(azetidin-3-ylidene)-N-[(1R)-1-(furan-2-yl)ethyl]propanamide
SMILESCC(C(=O)N[C@H](C)c1ccco1)=C1CNC1
InChIInChI=1S/C12H16N2O2/c1-8(10-6-13-7-10)12(15)14-9(2)11-4-3-5-16-11/h3-5,9,13H,6-7H2,1-2H3,(H,14,15)/t9-/m1/s1
InChIKeyVXFXNXNDFFXRRZ-SECBINFHSA-N
MW220.27 g/mol
LogP1.38
Rot. Bonds3

About 2-(azetidin-3-ylidene)-N-[(1R)-1-(furan-2-yl)ethyl]propanamide

2-(azetidin-3-ylidene)-N-[(1R)-1-(furan-2-yl)ethyl]propanamide (PubChem CID 104892386) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is 2-(azetidin-3-ylidene)-N-[(1R)-1-(furan-2-yl)ethyl]propanamide.

Molecular Properties

Compound Name2-(azetidin-3-ylidene)-N-[(1R)-1-(furan-2-yl)ethyl]propanamide
PubChem CID104892386
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name2-(azetidin-3-ylidene)-N-[(1R)-1-(furan-2-yl)ethyl]propanamide
SMILESCC(C(=O)N[C@H](C)c1ccco1)=C1CNC1
InChIInChI=1S/C12H16N2O2/c1-8(10-6-13-7-10)12(15)14-9(2)11-4-3-5-16-11/h3-5,9,13H,6-7H2,1-2H3,(H,14,15)/t9-/m1/s1
InChIKeyVXFXNXNDFFXRRZ-SECBINFHSA-N
XLogP1.38
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 51.38
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-[(1R)-1-(furan-2-yl)ethyl]propanamide with MolForge

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

Launch Full Analysis

Related Compounds

2-(azetidin-3-ylidene)-N-[furan-2-yl(phenyl)methyl]propanamide
CID 116675611
N-[1-(furan-2-yl)ethyl]acetamide
CID 22460009
N-[1-(furan-2-yl)ethyl]piperidine-4-carboxamide
CID 43535349
2-(azetidin-3-yl)-N-[1-(furan-2-yl)ethyl]propanamide
CID 116674875
N-[(1S)-1-(furan-2-yl)ethyl]-4-methylpyrrolidine-3-carboxamide
CID 81400915
2-(azetidin-3-yl)-N-[(1S)-1-(furan-2-yl)ethyl]acetamide
CID 81399568
2,2-difluoro-N-[(1R)-1-(furan-2-yl)ethyl]acetamide
CID 103515903
4-[1-(furan-2-yl)ethylamino]-4-oxobutanoic acid
CID 43535656
N-[(1S)-1-(furan-2-yl)ethyl]azetidine-2-carboxamide
CID 130949858
3-(cyclopropylamino)-N-[(1R)-1-(furan-2-yl)ethyl]propanamide
CID 81400565
2-(azetidin-3-ylmethylsulfanyl)-N-[1-(furan-2-yl)ethyl]acetamide
CID 66289051
1-amino-N-[(1R)-1-(furan-2-yl)ethyl]cyclopropane-1-carboxamide
CID 81400423

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-ylidene)-N-[(1R)-1-(furan-2-yl)ethyl]propanamide?
The IUPAC name of 2-(azetidin-3-ylidene)-N-[(1R)-1-(furan-2-yl)ethyl]propanamide (CID 104892386) is 2-(azetidin-3-ylidene)-N-[(1R)-1-(furan-2-yl)ethyl]propanamide.
What is the SMILES notation for 2-(azetidin-3-ylidene)-N-[(1R)-1-(furan-2-yl)ethyl]propanamide?
The canonical SMILES for 2-(azetidin-3-ylidene)-N-[(1R)-1-(furan-2-yl)ethyl]propanamide is CC(C(=O)N[C@H](C)c1ccco1)=C1CNC1.
What is the InChIKey of 2-(azetidin-3-ylidene)-N-[(1R)-1-(furan-2-yl)ethyl]propanamide?
The InChIKey is VXFXNXNDFFXRRZ-SECBINFHSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-8(10-6-13-7-10)12(15)14-9(2)11-4-3-5-16-11/h3-5,9,13H,6-7H2,1-2H3,(H,14,15)/t9-/m1/s1.
What are the key properties of 2-(azetidin-3-ylidene)-N-[(1R)-1-(furan-2-yl)ethyl]propanamide?
2-(azetidin-3-ylidene)-N-[(1R)-1-(furan-2-yl)ethyl]propanamide has a molecular weight of 220.27 g/mol, XLogP of 1.38, 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-[(1R)-1-(furan-2-yl)ethyl]propanamide is sourced from PubChem (CID 104892386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).