3-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-3-oxopropanoate

C10H9N2O4- — CID 135683195

IUPAC3-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-3-oxopropanoate
SMILESO=C([O-])CC(=O)N/N=C/c1ccccc1O
InChIInChI=1S/C10H10N2O4/c13-8-4-2-1-3-7(8)6-11-12-9(14)5-10(15)16/h1-4,6,13H,5H2,(H,12,14)(H,15,16)/p-1/b11-6+
InChIKeyUUNVNVPEIRSIJL-IZZDOVSWSA-M
MW221.19 g/mol
LogP-1.02
Rot. Bonds4

About 3-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-3-oxopropanoate

3-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-3-oxopropanoate (PubChem CID 135683195) has the molecular formula C10H9N2O4- and a molecular weight of 221.19 g/mol. Its IUPAC name is 3-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-3-oxopropanoate.

Molecular Properties

Compound Name3-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-3-oxopropanoate
PubChem CID135683195
Molecular FormulaC10H9N2O4-
Molecular Weight221.19 g/mol
Exact Mass221.06
IUPAC Name3-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-3-oxopropanoate
SMILESO=C([O-])CC(=O)N/N=C/c1ccccc1O
InChIInChI=1S/C10H10N2O4/c13-8-4-2-1-3-7(8)6-11-12-9(14)5-10(15)16/h1-4,6,13H,5H2,(H,12,14)(H,15,16)/p-1/b11-6+
InChIKeyUUNVNVPEIRSIJL-IZZDOVSWSA-M
XLogP-1.02
TPSA101.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.19
LogP ≤ 5-1.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', '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

N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-[[2-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]amino]acetamide
CID 177478603
N,N'-bis[(E)-(2-hydroxyphenyl)methylideneamino]decanediamide
CID 135555032
N'-[(E)-(2-hydroxyphenyl)methylideneamino]-N-propan-2-ylpropanediamide
CID 135531764
N-[(E)-(2-hydroxyphenyl)methylideneamino]pentanamide
CID 135509646
N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-[[2-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-nitrosoamino]acetamide
CID 135747209
[(Z)-(2-hydroxyphenyl)methylideneamino]urea
CID 135741564
N-[(2-hydroxyphenyl)methylideneamino]octanamide
CID 3393777
N-[(2-hydroxyphenyl)methylideneamino]undecanamide
CID 5053269
N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-(4-methylphenyl)acetamide
CID 135627903
N-(3,4-dimethylphenyl)-N'-[(2-hydroxyphenyl)methylideneamino]propanediamide
CID 4554672
N-[(Z)-(2-hydroxyphenyl)methylideneamino]undec-10-enamide
CID 136802207
N-(4-bromophenyl)-N'-[(2-hydroxyphenyl)methylideneamino]butanediamide
CID 4530785

Frequently Asked Questions

What is the IUPAC name of 3-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-3-oxopropanoate?
The IUPAC name of 3-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-3-oxopropanoate (CID 135683195) is 3-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-3-oxopropanoate.
What is the SMILES notation for 3-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-3-oxopropanoate?
The canonical SMILES for 3-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-3-oxopropanoate is O=C([O-])CC(=O)N/N=C/c1ccccc1O.
What is the InChIKey of 3-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-3-oxopropanoate?
The InChIKey is UUNVNVPEIRSIJL-IZZDOVSWSA-M. The full InChI is InChI=1S/C10H10N2O4/c13-8-4-2-1-3-7(8)6-11-12-9(14)5-10(15)16/h1-4,6,13H,5H2,(H,12,14)(H,15,16)/p-1/b11-6+.
What are the key properties of 3-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-3-oxopropanoate?
3-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-3-oxopropanoate has a molecular weight of 221.19 g/mol, XLogP of -1.02, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-3-oxopropanoate is sourced from PubChem (CID 135683195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).