methyl (NE,1Z)-N-benzylidenemethanehydrazonate

C9H10N2O — CID 143179521

IUPACmethyl (NE,1Z)-N-benzylidenemethanehydrazonate
SMILESCO/C=N\N=C\c1ccccc1
InChIInChI=1S/C9H10N2O/c1-12-8-11-10-7-9-5-3-2-4-6-9/h2-8H,1H3/b10-7+,11-8-
InChIKeyFVOKLOZICIQZGS-WAKDDQPJSA-N
MW162.19 g/mol
LogP1.70
Rot. Bonds3

About methyl (NE,1Z)-N-benzylidenemethanehydrazonate

methyl (NE,1Z)-N-benzylidenemethanehydrazonate (PubChem CID 143179521) has the molecular formula C9H10N2O and a molecular weight of 162.19 g/mol. Its IUPAC name is methyl (NE,1Z)-N-benzylidenemethanehydrazonate.

Molecular Properties

Compound Namemethyl (NE,1Z)-N-benzylidenemethanehydrazonate
PubChem CID143179521
Molecular FormulaC9H10N2O
Molecular Weight162.19 g/mol
Exact Mass162.08
IUPAC Namemethyl (NE,1Z)-N-benzylidenemethanehydrazonate
SMILESCO/C=N\N=C\c1ccccc1
InChIInChI=1S/C9H10N2O/c1-12-8-11-10-7-9-5-3-2-4-6-9/h2-8H,1H3/b10-7+,11-8-
InChIKeyFVOKLOZICIQZGS-WAKDDQPJSA-N
XLogP1.70
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.19
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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

(Z)-N-[(E)-[5-[(E)-[(Z)-benzylidenehydrazinylidene]methyl]thiophen-2-yl]methylideneamino]-1-phenylmethanimine
CID 59973054
ethane;N-methyl-1-phenylmethanimine
CID 90887000
ethyl 2-(benzylidenehydrazinylidene)acetate
CID 71441090
(E)-N-[(E)-benzylideneamino]-1-phenylethanimine
CID 177482711
(E)-N-[(E)-furan-2-ylmethylideneamino]-1-phenylmethanimine
CID 46707076
N-benzylidenehydroxylamine;ethane
CID 90698406
(NZ)-N-benzylidenehydroxylamine;ethane
CID 91038836
(E)-N-[(E)-(4-nitrophenyl)methylideneamino]-1-phenylmethanimine
CID 139599955
2-[[(4-methoxyphenyl)methylidenehydrazinylidene]methyl]phenol
CID 3949149
2-[(E)-benzylideneamino]guanidine;hydrobromide
CID 75485430
N-oxido-1-phenylmethanimine
CID 3712496
N-[(2R,3R)-3-(benzylideneamino)butan-2-yl]-1-phenylmethanimine
CID 929328

Frequently Asked Questions

What is the IUPAC name of methyl (NE,1Z)-N-benzylidenemethanehydrazonate?
The IUPAC name of methyl (NE,1Z)-N-benzylidenemethanehydrazonate (CID 143179521) is methyl (NE,1Z)-N-benzylidenemethanehydrazonate.
What is the SMILES notation for methyl (NE,1Z)-N-benzylidenemethanehydrazonate?
The canonical SMILES for methyl (NE,1Z)-N-benzylidenemethanehydrazonate is CO/C=N\N=C\c1ccccc1.
What is the InChIKey of methyl (NE,1Z)-N-benzylidenemethanehydrazonate?
The InChIKey is FVOKLOZICIQZGS-WAKDDQPJSA-N. The full InChI is InChI=1S/C9H10N2O/c1-12-8-11-10-7-9-5-3-2-4-6-9/h2-8H,1H3/b10-7+,11-8-.
What are the key properties of methyl (NE,1Z)-N-benzylidenemethanehydrazonate?
methyl (NE,1Z)-N-benzylidenemethanehydrazonate has a molecular weight of 162.19 g/mol, XLogP of 1.70, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (NE,1Z)-N-benzylidenemethanehydrazonate is sourced from PubChem (CID 143179521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).