ethyl N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]carbamate

C10H12N2O4 — CID 135478858

IUPACethyl N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]carbamate
SMILESCCOC(=O)N/N=C/c1ccc(O)cc1O
InChIInChI=1S/C10H12N2O4/c1-2-16-10(15)12-11-6-7-3-4-8(13)5-9(7)14/h3-6,13-14H,2H2,1H3,(H,12,15)/b11-6+
InChIKeyADFOXHQHINVUBI-IZZDOVSWSA-N
MW224.22 g/mol
LogP1.18
Rot. Bonds3

About ethyl N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]carbamate

ethyl N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]carbamate (PubChem CID 135478858) has the molecular formula C10H12N2O4 and a molecular weight of 224.22 g/mol. Its IUPAC name is ethyl N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]carbamate.

Molecular Properties

Compound Nameethyl N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]carbamate
PubChem CID135478858
Molecular FormulaC10H12N2O4
Molecular Weight224.22 g/mol
Exact Mass224.08
IUPAC Nameethyl N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]carbamate
SMILESCCOC(=O)N/N=C/c1ccc(O)cc1O
InChIInChI=1S/C10H12N2O4/c1-2-16-10(15)12-11-6-7-3-4-8(13)5-9(7)14/h3-6,13-14H,2H2,1H3,(H,12,15)/b11-6+
InChIKeyADFOXHQHINVUBI-IZZDOVSWSA-N
XLogP1.18
TPSA91.15 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.22
LogP ≤ 51.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]carbamate?
The IUPAC name of ethyl N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]carbamate (CID 135478858) is ethyl N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]carbamate.
What is the SMILES notation for ethyl N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]carbamate?
The canonical SMILES for ethyl N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]carbamate is CCOC(=O)N/N=C/c1ccc(O)cc1O.
What is the InChIKey of ethyl N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]carbamate?
The InChIKey is ADFOXHQHINVUBI-IZZDOVSWSA-N. The full InChI is InChI=1S/C10H12N2O4/c1-2-16-10(15)12-11-6-7-3-4-8(13)5-9(7)14/h3-6,13-14H,2H2,1H3,(H,12,15)/b11-6+.
What are the key properties of ethyl N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]carbamate?
ethyl N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]carbamate has a molecular weight of 224.22 g/mol, XLogP of 1.18, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]carbamate is sourced from PubChem (CID 135478858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).