[(E)-(3-methoxyphenyl)methylideneamino]carbamic acid

C9H10N2O3 — CID 87622449

IUPAC[(E)-(3-methoxyphenyl)methylideneamino]carbamic acid
SMILESCOc1cccc(/C=N/NC(=O)O)c1
InChIInChI=1S/C9H10N2O3/c1-14-8-4-2-3-7(5-8)6-10-11-9(12)13/h2-6,11H,1H3,(H,12,13)/b10-6+
InChIKeyUTEHPEBGVVTTMY-UXBLZVDNSA-N
MW194.19 g/mol
LogP1.30
Rot. Bonds3

About [(E)-(3-methoxyphenyl)methylideneamino]carbamic acid

[(E)-(3-methoxyphenyl)methylideneamino]carbamic acid (PubChem CID 87622449) has the molecular formula C9H10N2O3 and a molecular weight of 194.19 g/mol. Its IUPAC name is [(E)-(3-methoxyphenyl)methylideneamino]carbamic acid.

Molecular Properties

Compound Name[(E)-(3-methoxyphenyl)methylideneamino]carbamic acid
PubChem CID87622449
Molecular FormulaC9H10N2O3
Molecular Weight194.19 g/mol
Exact Mass194.07
IUPAC Name[(E)-(3-methoxyphenyl)methylideneamino]carbamic acid
SMILESCOc1cccc(/C=N/NC(=O)O)c1
InChIInChI=1S/C9H10N2O3/c1-14-8-4-2-3-7(5-8)6-10-11-9(12)13/h2-6,11H,1H3,(H,12,13)/b10-6+
InChIKeyUTEHPEBGVVTTMY-UXBLZVDNSA-N
XLogP1.30
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.19
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1,3-bis[(Z)-(3-methoxyphenyl)methylideneamino]urea
CID 5414266
N-[(Z)-(3-methoxyphenyl)methylideneamino]acetamide
CID 6011810
(2S)-2-hydroxy-N-[(Z)-(3-methoxyphenyl)methylideneamino]propanamide
CID 5413551
3-N,5-N-bis[(3-methoxyphenyl)methylideneamino]-2,6-dimethylpyridine-3,5-dicarboxamide
CID 4860648
4-hydroxy-N-[(E)-(3-methoxyphenyl)methylideneamino]benzamide
CID 139088138
N-[(E)-(3-methoxyphenyl)methylideneamino]-3-phenylpropanamide
CID 5334959
N-(benzylideneamino)-3-methoxybenzamide
CID 3517169
3-(4-methoxyphenyl)-N-[(3-methoxyphenyl)methylideneamino]prop-2-enamide
CID 1280138
4-bromo-N-[(E)-(3-methoxyphenyl)methylideneamino]benzamide
CID 6907430
N-[(3-methoxyphenyl)methylideneamino]-4-(methylamino)benzamide
CID 75306201
N-[(3-methoxyphenyl)methylideneamino]-2-(4-methylanilino)acetamide
CID 689442
1-[(E)-(3-methoxyphenyl)methylideneamino]-2-methylguanidine
CID 166950258

Frequently Asked Questions

What is the IUPAC name of [(E)-(3-methoxyphenyl)methylideneamino]carbamic acid?
The IUPAC name of [(E)-(3-methoxyphenyl)methylideneamino]carbamic acid (CID 87622449) is [(E)-(3-methoxyphenyl)methylideneamino]carbamic acid.
What is the SMILES notation for [(E)-(3-methoxyphenyl)methylideneamino]carbamic acid?
The canonical SMILES for [(E)-(3-methoxyphenyl)methylideneamino]carbamic acid is COc1cccc(/C=N/NC(=O)O)c1.
What is the InChIKey of [(E)-(3-methoxyphenyl)methylideneamino]carbamic acid?
The InChIKey is UTEHPEBGVVTTMY-UXBLZVDNSA-N. The full InChI is InChI=1S/C9H10N2O3/c1-14-8-4-2-3-7(5-8)6-10-11-9(12)13/h2-6,11H,1H3,(H,12,13)/b10-6+.
What are the key properties of [(E)-(3-methoxyphenyl)methylideneamino]carbamic acid?
[(E)-(3-methoxyphenyl)methylideneamino]carbamic acid has a molecular weight of 194.19 g/mol, XLogP of 1.30, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-(3-methoxyphenyl)methylideneamino]carbamic acid is sourced from PubChem (CID 87622449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).