[(E)-[(2Z)-2-benzylidenecyclopentylidene]amino] 4-methylbenzoate

C20H19NO2 — CID 20843761

IUPAC[(E)-[(2Z)-2-benzylidenecyclopentylidene]amino] 4-methylbenzoate
SMILESCc1ccc(C(=O)O/N=C2\CCC\C2=C\c2ccccc2)cc1
InChIInChI=1S/C20H19NO2/c1-15-10-12-17(13-11-15)20(22)23-21-19-9-5-8-18(19)14-16-6-3-2-4-7-16/h2-4,6-7,10-14H,5,8-9H2,1H3/b18-14-,21-19+
InChIKeyJFHSIFOBUNRDQH-LEDZZQCTSA-N
MW305.38 g/mol
LogP4.78
Rot. Bonds3

About [(E)-[(2Z)-2-benzylidenecyclopentylidene]amino] 4-methylbenzoate

[(E)-[(2Z)-2-benzylidenecyclopentylidene]amino] 4-methylbenzoate (PubChem CID 20843761) has the molecular formula C20H19NO2 and a molecular weight of 305.38 g/mol. Its IUPAC name is [(E)-[(2Z)-2-benzylidenecyclopentylidene]amino] 4-methylbenzoate.

Molecular Properties

Compound Name[(E)-[(2Z)-2-benzylidenecyclopentylidene]amino] 4-methylbenzoate
PubChem CID20843761
Molecular FormulaC20H19NO2
Molecular Weight305.38 g/mol
Exact Mass305.14
IUPAC Name[(E)-[(2Z)-2-benzylidenecyclopentylidene]amino] 4-methylbenzoate
SMILESCc1ccc(C(=O)O/N=C2\CCC\C2=C\c2ccccc2)cc1
InChIInChI=1S/C20H19NO2/c1-15-10-12-17(13-11-15)20(22)23-21-19-9-5-8-18(19)14-16-6-3-2-4-7-16/h2-4,6-7,10-14H,5,8-9H2,1H3/b18-14-,21-19+
InChIKeyJFHSIFOBUNRDQH-LEDZZQCTSA-N
XLogP4.78
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 54.78
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

1-[(E)-[(2Z)-2-benzylidenecyclohexylidene]amino]oxy-3-(tert-butylamino)propan-2-ol
CID 19744136
(6E)-2,6-dibenzylidenecyclohexan-1-one
CID 1240877
propyl N-[2-[(2-benzylidenecyclopentylidene)amino]phenyl]carbamate;hydrochloride
CID 73243186
methyl (2E)-2-[(2Z)-2-benzylidenecyclohexylidene]acetate
CID 101066852
[[4-(4-methylbenzoyl)oxyiminocyclohexa-2,5-dien-1-ylidene]amino] 2-bromobenzoate
CID 5120579
(1,2,3,9-tetrahydrocarbazol-4-ylideneamino) 4-ethylbenzoate
CID 143388430
N-[2-[(Z)-[(2E)-2-benzylidenecycloheptylidene]amino]oxyethyl]propan-2-amine
CID 134106823
ethyl (3R)-1-[2-[(2-benzylidenecyclohexylidene)amino]oxyethyl]piperidine-3-carboxylate
CID 54561569
N-[2-[(Z)-[(2Z)-2-benzylidenecycloheptylidene]amino]oxyethyl]-N-propan-2-ylpropan-2-amine
CID 50986575
[(E)-[(2E)-2-[(2E)-2-benzylidenecyclopentylidene]cyclopentylidene]methyl]benzene
CID 102353604
[(6-methoxy-5-nitro-3,4-dihydro-2H-naphthalen-1-ylidene)amino] benzoate
CID 689993
[(6-hydroxy-5-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)amino] 4-tert-butylbenzoate
CID 4536480

Frequently Asked Questions

What is the IUPAC name of [(E)-[(2Z)-2-benzylidenecyclopentylidene]amino] 4-methylbenzoate?
The IUPAC name of [(E)-[(2Z)-2-benzylidenecyclopentylidene]amino] 4-methylbenzoate (CID 20843761) is [(E)-[(2Z)-2-benzylidenecyclopentylidene]amino] 4-methylbenzoate.
What is the SMILES notation for [(E)-[(2Z)-2-benzylidenecyclopentylidene]amino] 4-methylbenzoate?
The canonical SMILES for [(E)-[(2Z)-2-benzylidenecyclopentylidene]amino] 4-methylbenzoate is Cc1ccc(C(=O)O/N=C2\CCC\C2=C\c2ccccc2)cc1.
What is the InChIKey of [(E)-[(2Z)-2-benzylidenecyclopentylidene]amino] 4-methylbenzoate?
The InChIKey is JFHSIFOBUNRDQH-LEDZZQCTSA-N. The full InChI is InChI=1S/C20H19NO2/c1-15-10-12-17(13-11-15)20(22)23-21-19-9-5-8-18(19)14-16-6-3-2-4-7-16/h2-4,6-7,10-14H,5,8-9H2,1H3/b18-14-,21-19+.
What are the key properties of [(E)-[(2Z)-2-benzylidenecyclopentylidene]amino] 4-methylbenzoate?
[(E)-[(2Z)-2-benzylidenecyclopentylidene]amino] 4-methylbenzoate has a molecular weight of 305.38 g/mol, XLogP of 4.78, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-[(2Z)-2-benzylidenecyclopentylidene]amino] 4-methylbenzoate is sourced from PubChem (CID 20843761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).