(2Z,5Z)-2-benzylidene-5-[(2E)-2-(dimethylhydrazinylidene)ethylidene]cyclopentan-1-one

C16H18N2O — CID 75459654

IUPAC(2Z,5Z)-2-benzylidene-5-[(2E)-2-(dimethylhydrazinylidene)ethylidene]cyclopentan-1-one
SMILESCN(C)/N=C/C=C1/CC/C(=C/c2ccccc2)C1=O
InChIInChI=1S/C16H18N2O/c1-18(2)17-11-10-14-8-9-15(16(14)19)12-13-6-4-3-5-7-13/h3-7,10-12H,8-9H2,1-2H3/b14-10-,15-12-,17-11+
InChIKeyFLHBXJODOXJVLV-JUCLLCFASA-N
MW254.33 g/mol
LogP2.91
Rot. Bonds3

About (2Z,5Z)-2-benzylidene-5-[(2E)-2-(dimethylhydrazinylidene)ethylidene]cyclopentan-1-one

(2Z,5Z)-2-benzylidene-5-[(2E)-2-(dimethylhydrazinylidene)ethylidene]cyclopentan-1-one (PubChem CID 75459654) has the molecular formula C16H18N2O and a molecular weight of 254.33 g/mol. Its IUPAC name is (2Z,5Z)-2-benzylidene-5-[(2E)-2-(dimethylhydrazinylidene)ethylidene]cyclopentan-1-one.

Molecular Properties

Compound Name(2Z,5Z)-2-benzylidene-5-[(2E)-2-(dimethylhydrazinylidene)ethylidene]cyclopentan-1-one
PubChem CID75459654
Molecular FormulaC16H18N2O
Molecular Weight254.33 g/mol
Exact Mass254.14
IUPAC Name(2Z,5Z)-2-benzylidene-5-[(2E)-2-(dimethylhydrazinylidene)ethylidene]cyclopentan-1-one
SMILESCN(C)/N=C/C=C1/CC/C(=C/c2ccccc2)C1=O
InChIInChI=1S/C16H18N2O/c1-18(2)17-11-10-14-8-9-15(16(14)19)12-13-6-4-3-5-7-13/h3-7,10-12H,8-9H2,1-2H3/b14-10-,15-12-,17-11+
InChIKeyFLHBXJODOXJVLV-JUCLLCFASA-N
XLogP2.91
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_one_ene_A(57)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2Z,5Z)-2-benzylidene-5-[(2E)-2-(dimethylhydrazinylidene)ethylidene]cyclopentan-1-one?
The IUPAC name of (2Z,5Z)-2-benzylidene-5-[(2E)-2-(dimethylhydrazinylidene)ethylidene]cyclopentan-1-one (CID 75459654) is (2Z,5Z)-2-benzylidene-5-[(2E)-2-(dimethylhydrazinylidene)ethylidene]cyclopentan-1-one.
What is the SMILES notation for (2Z,5Z)-2-benzylidene-5-[(2E)-2-(dimethylhydrazinylidene)ethylidene]cyclopentan-1-one?
The canonical SMILES for (2Z,5Z)-2-benzylidene-5-[(2E)-2-(dimethylhydrazinylidene)ethylidene]cyclopentan-1-one is CN(C)/N=C/C=C1/CC/C(=C/c2ccccc2)C1=O.
What is the InChIKey of (2Z,5Z)-2-benzylidene-5-[(2E)-2-(dimethylhydrazinylidene)ethylidene]cyclopentan-1-one?
The InChIKey is FLHBXJODOXJVLV-JUCLLCFASA-N. The full InChI is InChI=1S/C16H18N2O/c1-18(2)17-11-10-14-8-9-15(16(14)19)12-13-6-4-3-5-7-13/h3-7,10-12H,8-9H2,1-2H3/b14-10-,15-12-,17-11+.
What are the key properties of (2Z,5Z)-2-benzylidene-5-[(2E)-2-(dimethylhydrazinylidene)ethylidene]cyclopentan-1-one?
(2Z,5Z)-2-benzylidene-5-[(2E)-2-(dimethylhydrazinylidene)ethylidene]cyclopentan-1-one has a molecular weight of 254.33 g/mol, XLogP of 2.91, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,5Z)-2-benzylidene-5-[(2E)-2-(dimethylhydrazinylidene)ethylidene]cyclopentan-1-one is sourced from PubChem (CID 75459654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).