(3Z)-3-hydrazinylidene-2-imino-3-phenylpropanoic acid

C9H9N3O2 — CID 142280140

IUPAC(3Z)-3-hydrazinylidene-2-imino-3-phenylpropanoic acid
SMILES[H]/N=C(C(=O)O)/C(=N\N)c1ccccc1
InChIInChI=1S/C9H9N3O2/c10-7(9(13)14)8(12-11)6-4-2-1-3-5-6/h1-5,10H,11H2,(H,13,14)/b10-7-,12-8-
InChIKeyKGXWFNJVZFQSBS-NQXFEYKRSA-N
MW191.19 g/mol
LogP0.45
Rot. Bonds3

About (3Z)-3-hydrazinylidene-2-imino-3-phenylpropanoic acid

(3Z)-3-hydrazinylidene-2-imino-3-phenylpropanoic acid (PubChem CID 142280140) has the molecular formula C9H9N3O2 and a molecular weight of 191.19 g/mol. Its IUPAC name is (3Z)-3-hydrazinylidene-2-imino-3-phenylpropanoic acid.

Molecular Properties

Compound Name(3Z)-3-hydrazinylidene-2-imino-3-phenylpropanoic acid
PubChem CID142280140
Molecular FormulaC9H9N3O2
Molecular Weight191.19 g/mol
Exact Mass191.07
IUPAC Name(3Z)-3-hydrazinylidene-2-imino-3-phenylpropanoic acid
SMILES[H]/N=C(C(=O)O)/C(=N\N)c1ccccc1
InChIInChI=1S/C9H9N3O2/c10-7(9(13)14)8(12-11)6-4-2-1-3-5-6/h1-5,10H,11H2,(H,13,14)/b10-7-,12-8-
InChIKeyKGXWFNJVZFQSBS-NQXFEYKRSA-N
XLogP0.45
TPSA99.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.19
LogP ≤ 50.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', '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

ethyl (3Z)-3-hydrazinylidene-2-imino-3-phenylpropanoate
CID 142279990
1-(4-aminophenyl)-2-hydrazinylidene-2-phenylethanone
CID 173282909
(1-hydrazinylidene-1-phenylpropan-2-ylidene)hydrazine
CID 71413419
2-(4-chlorophenyl)-2-hydrazinylidene-1-phenylethanone
CID 154386910
benzenecarboximidamide;sulfane
CID 172701796
2-imino-2-phenylacetamide
CID 18431878
N'-aminobenzenecarboximidamide
CID 5474957
benzenecarboximidamide;hydron;chloride
CID 66824376
benzenecarboximidamide;propanoic acid
CID 159833627
[(Z)-(2-imino-1,2-diphenylethylidene)amino] benzoate
CID 89150925
CID 131851272
CID 131851272
N'-amino-N-iminobenzenecarboximidamide;methane
CID 143158063

Frequently Asked Questions

What is the IUPAC name of (3Z)-3-hydrazinylidene-2-imino-3-phenylpropanoic acid?
The IUPAC name of (3Z)-3-hydrazinylidene-2-imino-3-phenylpropanoic acid (CID 142280140) is (3Z)-3-hydrazinylidene-2-imino-3-phenylpropanoic acid.
What is the SMILES notation for (3Z)-3-hydrazinylidene-2-imino-3-phenylpropanoic acid?
The canonical SMILES for (3Z)-3-hydrazinylidene-2-imino-3-phenylpropanoic acid is [H]/N=C(C(=O)O)/C(=N\N)c1ccccc1.
What is the InChIKey of (3Z)-3-hydrazinylidene-2-imino-3-phenylpropanoic acid?
The InChIKey is KGXWFNJVZFQSBS-NQXFEYKRSA-N. The full InChI is InChI=1S/C9H9N3O2/c10-7(9(13)14)8(12-11)6-4-2-1-3-5-6/h1-5,10H,11H2,(H,13,14)/b10-7-,12-8-.
What are the key properties of (3Z)-3-hydrazinylidene-2-imino-3-phenylpropanoic acid?
(3Z)-3-hydrazinylidene-2-imino-3-phenylpropanoic acid has a molecular weight of 191.19 g/mol, XLogP of 0.45, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-hydrazinylidene-2-imino-3-phenylpropanoic acid is sourced from PubChem (CID 142280140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).