(2Z)-3-(dimethylamino)-1-phenyl-2-(phenylhydrazinylidene)propan-1-one

C17H19N3O — CID 11277499

IUPAC(2Z)-3-(dimethylamino)-1-phenyl-2-(phenylhydrazinylidene)propan-1-one
SMILESCN(C)C/C(=N/Nc1ccccc1)C(=O)c1ccccc1
InChIInChI=1S/C17H19N3O/c1-20(2)13-16(17(21)14-9-5-3-6-10-14)19-18-15-11-7-4-8-12-15/h3-12,18H,13H2,1-2H3/b19-16-
InChIKeyCJQXXQROPYHQEL-MNDPQUGUSA-N
MW281.36 g/mol
LogP2.90
Rot. Bonds6

About (2Z)-3-(dimethylamino)-1-phenyl-2-(phenylhydrazinylidene)propan-1-one

(2Z)-3-(dimethylamino)-1-phenyl-2-(phenylhydrazinylidene)propan-1-one (PubChem CID 11277499) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is (2Z)-3-(dimethylamino)-1-phenyl-2-(phenylhydrazinylidene)propan-1-one.

Molecular Properties

Compound Name(2Z)-3-(dimethylamino)-1-phenyl-2-(phenylhydrazinylidene)propan-1-one
PubChem CID11277499
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC Name(2Z)-3-(dimethylamino)-1-phenyl-2-(phenylhydrazinylidene)propan-1-one
SMILESCN(C)C/C(=N/Nc1ccccc1)C(=O)c1ccccc1
InChIInChI=1S/C17H19N3O/c1-20(2)13-16(17(21)14-9-5-3-6-10-14)19-18-15-11-7-4-8-12-15/h3-12,18H,13H2,1-2H3/b19-16-
InChIKeyCJQXXQROPYHQEL-MNDPQUGUSA-N
XLogP2.90
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2Z)-N,N-dimethyl-2-phenyl-2-(phenylhydrazinylidene)acetamide
CID 14933591
3-(phenylhydrazinylidene)pentan-2-one
CID 23263615
1-[(2Z)-3-oxo-3-phenyl-2-(phenylhydrazinylidene)propyl]piperidin-2-one
CID 101141559
(2Z)-N,N-dimethyl-2-phenyl-2-(phenylhydrazinylidene)ethanethioamide
CID 14933594
dimethyl (2E)-2-(phenylhydrazinylidene)butanedioate
CID 16646134
(2Z)-4-methyl-2-(phenylhydrazinylidene)pentanoic acid
CID 18965760
2-oxo-2-phenyl-1-(phenylhydrazinylidene)ethanesulfonate
CID 4571760
3-phenyl-2-(phenylhydrazinylidene)propanoyl chloride
CID 131710018
(2Z)-N-methyl-2-phenyl-2-(phenylhydrazinylidene)acetamide
CID 15371306
N-[(dimethylamino)methyl]-N-methylbenzamide
CID 12719368
ethane;N-[(Z)-1-phenylethylideneamino]aniline
CID 91599108
2-(phenylhydrazinylidene)hexanoate
CID 57359440

Frequently Asked Questions

What is the IUPAC name of (2Z)-3-(dimethylamino)-1-phenyl-2-(phenylhydrazinylidene)propan-1-one?
The IUPAC name of (2Z)-3-(dimethylamino)-1-phenyl-2-(phenylhydrazinylidene)propan-1-one (CID 11277499) is (2Z)-3-(dimethylamino)-1-phenyl-2-(phenylhydrazinylidene)propan-1-one.
What is the SMILES notation for (2Z)-3-(dimethylamino)-1-phenyl-2-(phenylhydrazinylidene)propan-1-one?
The canonical SMILES for (2Z)-3-(dimethylamino)-1-phenyl-2-(phenylhydrazinylidene)propan-1-one is CN(C)C/C(=N/Nc1ccccc1)C(=O)c1ccccc1.
What is the InChIKey of (2Z)-3-(dimethylamino)-1-phenyl-2-(phenylhydrazinylidene)propan-1-one?
The InChIKey is CJQXXQROPYHQEL-MNDPQUGUSA-N. The full InChI is InChI=1S/C17H19N3O/c1-20(2)13-16(17(21)14-9-5-3-6-10-14)19-18-15-11-7-4-8-12-15/h3-12,18H,13H2,1-2H3/b19-16-.
What are the key properties of (2Z)-3-(dimethylamino)-1-phenyl-2-(phenylhydrazinylidene)propan-1-one?
(2Z)-3-(dimethylamino)-1-phenyl-2-(phenylhydrazinylidene)propan-1-one has a molecular weight of 281.36 g/mol, XLogP of 2.90, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-3-(dimethylamino)-1-phenyl-2-(phenylhydrazinylidene)propan-1-one is sourced from PubChem (CID 11277499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).