[amino(phenyl)methylidene]carbamic acid

C8H8N2O2 — CID 54409873

IUPAC[amino(phenyl)methylidene]carbamic acid
SMILESNC(=NC(=O)O)c1ccccc1
InChIInChI=1S/C8H8N2O2/c9-7(10-8(11)12)6-4-2-1-3-5-6/h1-5H,(H2,9,10)(H,11,12)
InChIKeyVTIWMOCIQPYXOK-UHFFFAOYSA-N
MW164.16 g/mol
LogP1.07
Rot. Bonds1

About [amino(phenyl)methylidene]carbamic acid

[amino(phenyl)methylidene]carbamic acid (PubChem CID 54409873) has the molecular formula C8H8N2O2 and a molecular weight of 164.16 g/mol. Its IUPAC name is [amino(phenyl)methylidene]carbamic acid.

Molecular Properties

Compound Name[amino(phenyl)methylidene]carbamic acid
PubChem CID54409873
Molecular FormulaC8H8N2O2
Molecular Weight164.16 g/mol
Exact Mass164.06
IUPAC Name[amino(phenyl)methylidene]carbamic acid
SMILESNC(=NC(=O)O)c1ccccc1
InChIInChI=1S/C8H8N2O2/c9-7(10-8(11)12)6-4-2-1-3-5-6/h1-5H,(H2,9,10)(H,11,12)
InChIKeyVTIWMOCIQPYXOK-UHFFFAOYSA-N
XLogP1.07
TPSA75.68 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.16
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-[amino(phenyl)methylidene]-2-phenylacetamide
CID 121264672
N'-hydroxybenzenecarboximidamide
CID 142861747
N'-aminobenzenecarboximidamide
CID 5474957
[(E)-[amino(phenyl)methylidene]amino] benzoate
CID 6149734
N-[amino(phenyl)methylidene]-4-cyanobenzamide
CID 100992622
N'-hydroxybenzenecarboximidamide;pentahydrate
CID 174367022
[[amino-[4-(N'-benzoyloxycarbamimidoyl)phenyl]methylidene]amino] benzoate
CID 58767880
benzamide;hydron
CID 68819060
CID 67738089
CID 67738089
benzamide;ethene
CID 143479548
ethene;N'-methylbenzenecarboximidamide
CID 142294327
bis(1,2-diphenylethane-1,2-dione);hydrogen peroxide
CID 18415505

Frequently Asked Questions

What is the IUPAC name of [amino(phenyl)methylidene]carbamic acid?
The IUPAC name of [amino(phenyl)methylidene]carbamic acid (CID 54409873) is [amino(phenyl)methylidene]carbamic acid.
What is the SMILES notation for [amino(phenyl)methylidene]carbamic acid?
The canonical SMILES for [amino(phenyl)methylidene]carbamic acid is NC(=NC(=O)O)c1ccccc1.
What is the InChIKey of [amino(phenyl)methylidene]carbamic acid?
The InChIKey is VTIWMOCIQPYXOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O2/c9-7(10-8(11)12)6-4-2-1-3-5-6/h1-5H,(H2,9,10)(H,11,12).
What are the key properties of [amino(phenyl)methylidene]carbamic acid?
[amino(phenyl)methylidene]carbamic acid has a molecular weight of 164.16 g/mol, XLogP of 1.07, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [amino(phenyl)methylidene]carbamic acid is sourced from PubChem (CID 54409873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).