[(Z)-[(2E)-2-benzylidenecyclopentylidene]amino] benzoate

C19H17NO2 — CID 5404020

IUPAC[(Z)-[(2E)-2-benzylidenecyclopentylidene]amino] benzoate
SMILESO=C(O/N=C1/CCC/C1=C\c1ccccc1)c1ccccc1
InChIInChI=1S/C19H17NO2/c21-19(16-10-5-2-6-11-16)22-20-18-13-7-12-17(18)14-15-8-3-1-4-9-15/h1-6,8-11,14H,7,12-13H2/b17-14+,20-18-
InChIKeyYLFWHGYQKGQRHV-RRQVPDQSSA-N
MW291.35 g/mol
LogP4.47
Rot. Bonds3

About [(Z)-[(2E)-2-benzylidenecyclopentylidene]amino] benzoate

[(Z)-[(2E)-2-benzylidenecyclopentylidene]amino] benzoate (PubChem CID 5404020) has the molecular formula C19H17NO2 and a molecular weight of 291.35 g/mol. Its IUPAC name is [(Z)-[(2E)-2-benzylidenecyclopentylidene]amino] benzoate.

Molecular Properties

Compound Name[(Z)-[(2E)-2-benzylidenecyclopentylidene]amino] benzoate
PubChem CID5404020
Molecular FormulaC19H17NO2
Molecular Weight291.35 g/mol
Exact Mass291.13
IUPAC Name[(Z)-[(2E)-2-benzylidenecyclopentylidene]amino] benzoate
SMILESO=C(O/N=C1/CCC/C1=C\c1ccccc1)c1ccccc1
InChIInChI=1S/C19H17NO2/c21-19(16-10-5-2-6-11-16)22-20-18-13-7-12-17(18)14-15-8-3-1-4-9-15/h1-6,8-11,14H,7,12-13H2/b17-14+,20-18-
InChIKeyYLFWHGYQKGQRHV-RRQVPDQSSA-N
XLogP4.47
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2,5-Cyclohexadiene-1,4-dione, 1,4-bis(O-benzoyloxime)
CID 67122
4-Phenyl-1H-2,3-benzoxazin-1-one
CID 262685
4-Benzylidene-3-phenyl-4H-isoxazol-5-one
CID 900897
benzaldehyde O-benzoyloxime
CID 11206881
Poloxin
CID 9613592
4-fluorobenzaldehyde O-benzoyloxime
CID 11368513
3,4-difluorobenzaldehyde O-benzoyloxime
CID 11470979
1-[({[4-(Tert-butyl)cyclohexyliden]amino}oxy)carbonyl]-4-fluorobenzene
CID 1474470
3-(4-methylphenyl)-4-(3-phenyl-2-propen-1-ylidene)-5(4H)-isoxazolone
CID 2263521
(Propan-2-ylideneamino) 4-phenylbenzoate
CID 702521
(4-fluorophenyl)({[(1Z)-1-(4-methylphenyl)ethylidene]amino}oxy)methanone
CID 5396251
1-{[(4-Fluorobenzoyl)oxy]imino}-1,2,3,4-tetrahydronaphthalene
CID 5525181

Frequently Asked Questions

What is the IUPAC name of [(Z)-[(2E)-2-benzylidenecyclopentylidene]amino] benzoate?
The IUPAC name of [(Z)-[(2E)-2-benzylidenecyclopentylidene]amino] benzoate (CID 5404020) is [(Z)-[(2E)-2-benzylidenecyclopentylidene]amino] benzoate.
What is the SMILES notation for [(Z)-[(2E)-2-benzylidenecyclopentylidene]amino] benzoate?
The canonical SMILES for [(Z)-[(2E)-2-benzylidenecyclopentylidene]amino] benzoate is O=C(O/N=C1/CCC/C1=C\c1ccccc1)c1ccccc1.
What is the InChIKey of [(Z)-[(2E)-2-benzylidenecyclopentylidene]amino] benzoate?
The InChIKey is YLFWHGYQKGQRHV-RRQVPDQSSA-N. The full InChI is InChI=1S/C19H17NO2/c21-19(16-10-5-2-6-11-16)22-20-18-13-7-12-17(18)14-15-8-3-1-4-9-15/h1-6,8-11,14H,7,12-13H2/b17-14+,20-18-.
What are the key properties of [(Z)-[(2E)-2-benzylidenecyclopentylidene]amino] benzoate?
[(Z)-[(2E)-2-benzylidenecyclopentylidene]amino] benzoate has a molecular weight of 291.35 g/mol, XLogP of 4.47, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-[(2E)-2-benzylidenecyclopentylidene]amino] benzoate is sourced from PubChem (CID 5404020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).