(6Z)-6-(dimethylhydrazinylidene)-1-phenylhexan-1-one

C14H20N2O — CID 102137502

IUPAC(6Z)-6-(dimethylhydrazinylidene)-1-phenylhexan-1-one
SMILESCN(C)/N=C\CCCCC(=O)c1ccccc1
InChIInChI=1S/C14H20N2O/c1-16(2)15-12-8-4-7-11-14(17)13-9-5-3-6-10-13/h3,5-6,9-10,12H,4,7-8,11H2,1-2H3/b15-12-
InChIKeyKMRCWIVKLYRZJF-QINSGFPZSA-N
MW232.33 g/mol
LogP2.98
Rot. Bonds7

About (6Z)-6-(dimethylhydrazinylidene)-1-phenylhexan-1-one

(6Z)-6-(dimethylhydrazinylidene)-1-phenylhexan-1-one (PubChem CID 102137502) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is (6Z)-6-(dimethylhydrazinylidene)-1-phenylhexan-1-one.

Molecular Properties

Compound Name(6Z)-6-(dimethylhydrazinylidene)-1-phenylhexan-1-one
PubChem CID102137502
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name(6Z)-6-(dimethylhydrazinylidene)-1-phenylhexan-1-one
SMILESCN(C)/N=C\CCCCC(=O)c1ccccc1
InChIInChI=1S/C14H20N2O/c1-16(2)15-12-8-4-7-11-14(17)13-9-5-3-6-10-13/h3,5-6,9-10,12H,4,7-8,11H2,1-2H3/b15-12-
InChIKeyKMRCWIVKLYRZJF-QINSGFPZSA-N
XLogP2.98
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 (6Z)-6-(dimethylhydrazinylidene)-1-phenylhexan-1-one?
The IUPAC name of (6Z)-6-(dimethylhydrazinylidene)-1-phenylhexan-1-one (CID 102137502) is (6Z)-6-(dimethylhydrazinylidene)-1-phenylhexan-1-one.
What is the SMILES notation for (6Z)-6-(dimethylhydrazinylidene)-1-phenylhexan-1-one?
The canonical SMILES for (6Z)-6-(dimethylhydrazinylidene)-1-phenylhexan-1-one is CN(C)/N=C\CCCCC(=O)c1ccccc1.
What is the InChIKey of (6Z)-6-(dimethylhydrazinylidene)-1-phenylhexan-1-one?
The InChIKey is KMRCWIVKLYRZJF-QINSGFPZSA-N. The full InChI is InChI=1S/C14H20N2O/c1-16(2)15-12-8-4-7-11-14(17)13-9-5-3-6-10-13/h3,5-6,9-10,12H,4,7-8,11H2,1-2H3/b15-12-.
What are the key properties of (6Z)-6-(dimethylhydrazinylidene)-1-phenylhexan-1-one?
(6Z)-6-(dimethylhydrazinylidene)-1-phenylhexan-1-one has a molecular weight of 232.33 g/mol, XLogP of 2.98, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6Z)-6-(dimethylhydrazinylidene)-1-phenylhexan-1-one is sourced from PubChem (CID 102137502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).