4-[(E)-[[(1R,2R)-2-hydroxycyclohexyl]-methylhydrazinylidene]methyl]benzonitrile

C15H19N3O — CID 10038102

IUPAC4-[(E)-[[(1R,2R)-2-hydroxycyclohexyl]-methylhydrazinylidene]methyl]benzonitrile
SMILESCN(/N=C/c1ccc(C#N)cc1)[C@@H]1CCCC[C@H]1O
InChIInChI=1S/C15H19N3O/c1-18(14-4-2-3-5-15(14)19)17-11-13-8-6-12(10-16)7-9-13/h6-9,11,14-15,19H,2-5H2,1H3/b17-11+/t14-,15-/m1/s1
InChIKeyBNUCOSPGWSVFOR-DSWHRGLISA-N
MW257.34 g/mol
LogP2.13
Rot. Bonds3

About 4-[(E)-[[(1R,2R)-2-hydroxycyclohexyl]-methylhydrazinylidene]methyl]benzonitrile

4-[(E)-[[(1R,2R)-2-hydroxycyclohexyl]-methylhydrazinylidene]methyl]benzonitrile (PubChem CID 10038102) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 4-[(E)-[[(1R,2R)-2-hydroxycyclohexyl]-methylhydrazinylidene]methyl]benzonitrile.

Molecular Properties

Compound Name4-[(E)-[[(1R,2R)-2-hydroxycyclohexyl]-methylhydrazinylidene]methyl]benzonitrile
PubChem CID10038102
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name4-[(E)-[[(1R,2R)-2-hydroxycyclohexyl]-methylhydrazinylidene]methyl]benzonitrile
SMILESCN(/N=C/c1ccc(C#N)cc1)[C@@H]1CCCC[C@H]1O
InChIInChI=1S/C15H19N3O/c1-18(14-4-2-3-5-15(14)19)17-11-13-8-6-12(10-16)7-9-13/h6-9,11,14-15,19H,2-5H2,1H3/b17-11+/t14-,15-/m1/s1
InChIKeyBNUCOSPGWSVFOR-DSWHRGLISA-N
XLogP2.13
TPSA59.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_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 4-[(E)-[[(1R,2R)-2-hydroxycyclohexyl]-methylhydrazinylidene]methyl]benzonitrile?
The IUPAC name of 4-[(E)-[[(1R,2R)-2-hydroxycyclohexyl]-methylhydrazinylidene]methyl]benzonitrile (CID 10038102) is 4-[(E)-[[(1R,2R)-2-hydroxycyclohexyl]-methylhydrazinylidene]methyl]benzonitrile.
What is the SMILES notation for 4-[(E)-[[(1R,2R)-2-hydroxycyclohexyl]-methylhydrazinylidene]methyl]benzonitrile?
The canonical SMILES for 4-[(E)-[[(1R,2R)-2-hydroxycyclohexyl]-methylhydrazinylidene]methyl]benzonitrile is CN(/N=C/c1ccc(C#N)cc1)[C@@H]1CCCC[C@H]1O.
What is the InChIKey of 4-[(E)-[[(1R,2R)-2-hydroxycyclohexyl]-methylhydrazinylidene]methyl]benzonitrile?
The InChIKey is BNUCOSPGWSVFOR-DSWHRGLISA-N. The full InChI is InChI=1S/C15H19N3O/c1-18(14-4-2-3-5-15(14)19)17-11-13-8-6-12(10-16)7-9-13/h6-9,11,14-15,19H,2-5H2,1H3/b17-11+/t14-,15-/m1/s1.
What are the key properties of 4-[(E)-[[(1R,2R)-2-hydroxycyclohexyl]-methylhydrazinylidene]methyl]benzonitrile?
4-[(E)-[[(1R,2R)-2-hydroxycyclohexyl]-methylhydrazinylidene]methyl]benzonitrile has a molecular weight of 257.34 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-[[(1R,2R)-2-hydroxycyclohexyl]-methylhydrazinylidene]methyl]benzonitrile is sourced from PubChem (CID 10038102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).