(3Z)-1-benzyl-3-ethylidene-4-[furan-2-yl(hydroxy)methyl]azetidin-2-one

C17H17NO3 — CID 10660626

IUPAC(3Z)-1-benzyl-3-ethylidene-4-[furan-2-yl(hydroxy)methyl]azetidin-2-one
SMILESC/C=C1\C(=O)N(Cc2ccccc2)C1C(O)c1ccco1
InChIInChI=1S/C17H17NO3/c1-2-13-15(16(19)14-9-6-10-21-14)18(17(13)20)11-12-7-4-3-5-8-12/h2-10,15-16,19H,11H2,1H3/b13-2-
InChIKeyHEYLPFFYPWLJLB-SILLCRNTSA-N
MW283.33 g/mol
LogP2.67
Rot. Bonds4

About (3Z)-1-benzyl-3-ethylidene-4-[furan-2-yl(hydroxy)methyl]azetidin-2-one

(3Z)-1-benzyl-3-ethylidene-4-[furan-2-yl(hydroxy)methyl]azetidin-2-one (PubChem CID 10660626) has the molecular formula C17H17NO3 and a molecular weight of 283.33 g/mol. Its IUPAC name is (3Z)-1-benzyl-3-ethylidene-4-[furan-2-yl(hydroxy)methyl]azetidin-2-one.

Molecular Properties

Compound Name(3Z)-1-benzyl-3-ethylidene-4-[furan-2-yl(hydroxy)methyl]azetidin-2-one
PubChem CID10660626
Molecular FormulaC17H17NO3
Molecular Weight283.33 g/mol
Exact Mass283.12
IUPAC Name(3Z)-1-benzyl-3-ethylidene-4-[furan-2-yl(hydroxy)methyl]azetidin-2-one
SMILESC/C=C1\C(=O)N(Cc2ccccc2)C1C(O)c1ccco1
InChIInChI=1S/C17H17NO3/c1-2-13-15(16(19)14-9-6-10-21-14)18(17(13)20)11-12-7-4-3-5-8-12/h2-10,15-16,19H,11H2,1H3/b13-2-
InChIKeyHEYLPFFYPWLJLB-SILLCRNTSA-N
XLogP2.67
TPSA53.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (3Z)-1-benzyl-3-ethylidene-4-[furan-2-yl(hydroxy)methyl]azetidin-2-one 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 (3Z)-1-benzyl-3-ethylidene-4-[furan-2-yl(hydroxy)methyl]azetidin-2-one?
The IUPAC name of (3Z)-1-benzyl-3-ethylidene-4-[furan-2-yl(hydroxy)methyl]azetidin-2-one (CID 10660626) is (3Z)-1-benzyl-3-ethylidene-4-[furan-2-yl(hydroxy)methyl]azetidin-2-one.
What is the SMILES notation for (3Z)-1-benzyl-3-ethylidene-4-[furan-2-yl(hydroxy)methyl]azetidin-2-one?
The canonical SMILES for (3Z)-1-benzyl-3-ethylidene-4-[furan-2-yl(hydroxy)methyl]azetidin-2-one is C/C=C1\C(=O)N(Cc2ccccc2)C1C(O)c1ccco1.
What is the InChIKey of (3Z)-1-benzyl-3-ethylidene-4-[furan-2-yl(hydroxy)methyl]azetidin-2-one?
The InChIKey is HEYLPFFYPWLJLB-SILLCRNTSA-N. The full InChI is InChI=1S/C17H17NO3/c1-2-13-15(16(19)14-9-6-10-21-14)18(17(13)20)11-12-7-4-3-5-8-12/h2-10,15-16,19H,11H2,1H3/b13-2-.
What are the key properties of (3Z)-1-benzyl-3-ethylidene-4-[furan-2-yl(hydroxy)methyl]azetidin-2-one?
(3Z)-1-benzyl-3-ethylidene-4-[furan-2-yl(hydroxy)methyl]azetidin-2-one has a molecular weight of 283.33 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-1-benzyl-3-ethylidene-4-[furan-2-yl(hydroxy)methyl]azetidin-2-one is sourced from PubChem (CID 10660626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).