ethyl N-[(E)-(3-hydroxyphenyl)methylideneamino]carbamate

C10H12N2O3 — CID 6861610

IUPACethyl N-[(E)-(3-hydroxyphenyl)methylideneamino]carbamate
SMILESCCOC(=O)N/N=C/c1cccc(O)c1
InChIInChI=1S/C10H12N2O3/c1-2-15-10(14)12-11-7-8-4-3-5-9(13)6-8/h3-7,13H,2H2,1H3,(H,12,14)/b11-7+
InChIKeyGXSROHNWXDVICS-YRNVUSSQSA-N
MW208.22 g/mol
LogP1.47
Rot. Bonds3

About ethyl N-[(E)-(3-hydroxyphenyl)methylideneamino]carbamate

ethyl N-[(E)-(3-hydroxyphenyl)methylideneamino]carbamate (PubChem CID 6861610) has the molecular formula C10H12N2O3 and a molecular weight of 208.22 g/mol. Its IUPAC name is ethyl N-[(E)-(3-hydroxyphenyl)methylideneamino]carbamate.

Molecular Properties

Compound Nameethyl N-[(E)-(3-hydroxyphenyl)methylideneamino]carbamate
PubChem CID6861610
Molecular FormulaC10H12N2O3
Molecular Weight208.22 g/mol
Exact Mass208.08
IUPAC Nameethyl N-[(E)-(3-hydroxyphenyl)methylideneamino]carbamate
SMILESCCOC(=O)N/N=C/c1cccc(O)c1
InChIInChI=1S/C10H12N2O3/c1-2-15-10(14)12-11-7-8-4-3-5-9(13)6-8/h3-7,13H,2H2,1H3,(H,12,14)/b11-7+
InChIKeyGXSROHNWXDVICS-YRNVUSSQSA-N
XLogP1.47
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

ethyl N-[(3-methylphenyl)methylideneamino]carbamate
CID 2692645
ethyl N-[(Z)-naphthalen-2-ylmethylideneamino]carbamate
CID 5401750
ethyl N-[(Z)-(3,4-dichlorophenyl)methylideneamino]carbamate
CID 5399198
ethyl N-[(E)-(3,4-dichlorophenyl)methylideneamino]carbamate
CID 6861622
ethyl N-[(Z)-pyridin-3-ylmethylideneamino]carbamate
CID 5407780
1-amino-3-[(Z)-(3-hydroxyphenyl)methylideneamino]urea
CID 5380313
ethyl N-[(E)-(2-hydroxyphenyl)methylideneamino]carbamate
CID 135478857
ethyl N-[(E)-pyridin-4-ylmethylideneamino]carbamate
CID 5365476
2-(2-ethoxyphenoxy)-N-[(E)-(3-hydroxyphenyl)methylideneamino]acetamide
CID 19189958
ethyl 4-[(E)-(ethoxycarbonylhydrazinylidene)methyl]benzoate
CID 90120945
ethyl N-[(E)-(2,6-difluorophenyl)methylideneamino]carbamate
CID 6902012
4-[(E)-(ethoxycarbonylhydrazinylidene)methyl]benzoic acid
CID 6861608

Frequently Asked Questions

What is the IUPAC name of ethyl N-[(E)-(3-hydroxyphenyl)methylideneamino]carbamate?
The IUPAC name of ethyl N-[(E)-(3-hydroxyphenyl)methylideneamino]carbamate (CID 6861610) is ethyl N-[(E)-(3-hydroxyphenyl)methylideneamino]carbamate.
What is the SMILES notation for ethyl N-[(E)-(3-hydroxyphenyl)methylideneamino]carbamate?
The canonical SMILES for ethyl N-[(E)-(3-hydroxyphenyl)methylideneamino]carbamate is CCOC(=O)N/N=C/c1cccc(O)c1.
What is the InChIKey of ethyl N-[(E)-(3-hydroxyphenyl)methylideneamino]carbamate?
The InChIKey is GXSROHNWXDVICS-YRNVUSSQSA-N. The full InChI is InChI=1S/C10H12N2O3/c1-2-15-10(14)12-11-7-8-4-3-5-9(13)6-8/h3-7,13H,2H2,1H3,(H,12,14)/b11-7+.
What are the key properties of ethyl N-[(E)-(3-hydroxyphenyl)methylideneamino]carbamate?
ethyl N-[(E)-(3-hydroxyphenyl)methylideneamino]carbamate has a molecular weight of 208.22 g/mol, XLogP of 1.47, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[(E)-(3-hydroxyphenyl)methylideneamino]carbamate is sourced from PubChem (CID 6861610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).