(1Z)-2-chloro-2-phenylpropanehydrazonate

C9H10ClN2O- — CID 23219679

IUPAC(1Z)-2-chloro-2-phenylpropanehydrazonate
SMILESCC(Cl)(/C([O-])=N/N)c1ccccc1
InChIInChI=1S/C9H11ClN2O/c1-9(10,8(13)12-11)7-5-3-2-4-6-7/h2-6H,11H2,1H3,(H,12,13)/p-1
InChIKeyOSNPZPOQQXFRQE-UHFFFAOYSA-M
MW197.65 g/mol
LogP0.77
Rot. Bonds2

About (1Z)-2-chloro-2-phenylpropanehydrazonate

(1Z)-2-chloro-2-phenylpropanehydrazonate (PubChem CID 23219679) has the molecular formula C9H10ClN2O- and a molecular weight of 197.65 g/mol. Its IUPAC name is (1Z)-2-chloro-2-phenylpropanehydrazonate.

Molecular Properties

Compound Name(1Z)-2-chloro-2-phenylpropanehydrazonate
PubChem CID23219679
Molecular FormulaC9H10ClN2O-
Molecular Weight197.65 g/mol
Exact Mass197.05
IUPAC Name(1Z)-2-chloro-2-phenylpropanehydrazonate
SMILESCC(Cl)(/C([O-])=N/N)c1ccccc1
InChIInChI=1S/C9H11ClN2O/c1-9(10,8(13)12-11)7-5-3-2-4-6-7/h2-6H,11H2,1H3,(H,12,13)/p-1
InChIKeyOSNPZPOQQXFRQE-UHFFFAOYSA-M
XLogP0.77
TPSA61.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.65
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-amino-2-methyl-2-phenylpropanimidamide
CID 61363326
3-chloro-3-methyl-N-(2-phenylpropan-2-yl)butan-2-imine
CID 10514054
tert-butylbenzene;chloromethane;ethane
CID 91149652
2-chloro-2-phenylpropan-1-ol
CID 21408065
dichloro(phenyl)methanol
CID 25493
1,1-diphenylethanamine
CID 12761172
(2R)-2-amino-2-phenylpropanoyl chloride
CID 141365713
magnesium bis(2-methyl-2-phenylpropanoate)
CID 141248278
(2S)-2-hydroxy-2-phenylpropanoate
CID 6932633
sodium 2-methyl-2-phenylpropanoate
CID 141248267
2-phenylpropan-2-ylbenzene
CID 13065
CID 171375456
CID 171375456

Frequently Asked Questions

What is the IUPAC name of (1Z)-2-chloro-2-phenylpropanehydrazonate?
The IUPAC name of (1Z)-2-chloro-2-phenylpropanehydrazonate (CID 23219679) is (1Z)-2-chloro-2-phenylpropanehydrazonate.
What is the SMILES notation for (1Z)-2-chloro-2-phenylpropanehydrazonate?
The canonical SMILES for (1Z)-2-chloro-2-phenylpropanehydrazonate is CC(Cl)(/C([O-])=N/N)c1ccccc1.
What is the InChIKey of (1Z)-2-chloro-2-phenylpropanehydrazonate?
The InChIKey is OSNPZPOQQXFRQE-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H11ClN2O/c1-9(10,8(13)12-11)7-5-3-2-4-6-7/h2-6H,11H2,1H3,(H,12,13)/p-1.
What are the key properties of (1Z)-2-chloro-2-phenylpropanehydrazonate?
(1Z)-2-chloro-2-phenylpropanehydrazonate has a molecular weight of 197.65 g/mol, XLogP of 0.77, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-2-chloro-2-phenylpropanehydrazonate is sourced from PubChem (CID 23219679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).