ethyl N-[(E)-(2-methylphenyl)methylideneamino]carbamate

C11H14N2O2 — CID 6861612

IUPACethyl N-[(E)-(2-methylphenyl)methylideneamino]carbamate
SMILESCCOC(=O)N/N=C/c1ccccc1C
InChIInChI=1S/C11H14N2O2/c1-3-15-11(14)13-12-8-10-7-5-4-6-9(10)2/h4-8H,3H2,1-2H3,(H,13,14)/b12-8+
InChIKeyDAVYYRWYGOSNOL-XYOKQWHBSA-N
MW206.24 g/mol
LogP2.08
Rot. Bonds3

About ethyl N-[(E)-(2-methylphenyl)methylideneamino]carbamate

ethyl N-[(E)-(2-methylphenyl)methylideneamino]carbamate (PubChem CID 6861612) has the molecular formula C11H14N2O2 and a molecular weight of 206.24 g/mol. Its IUPAC name is ethyl N-[(E)-(2-methylphenyl)methylideneamino]carbamate.

Molecular Properties

Compound Nameethyl N-[(E)-(2-methylphenyl)methylideneamino]carbamate
PubChem CID6861612
Molecular FormulaC11H14N2O2
Molecular Weight206.24 g/mol
Exact Mass206.11
IUPAC Nameethyl N-[(E)-(2-methylphenyl)methylideneamino]carbamate
SMILESCCOC(=O)N/N=C/c1ccccc1C
InChIInChI=1S/C11H14N2O2/c1-3-15-11(14)13-12-8-10-7-5-4-6-9(10)2/h4-8H,3H2,1-2H3,(H,13,14)/b12-8+
InChIKeyDAVYYRWYGOSNOL-XYOKQWHBSA-N
XLogP2.08
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 52.08
H-Bond Donors ≤ 51
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

ethyl N-[(E)-(2-hydroxyphenyl)methylideneamino]carbamate
CID 135478857
ethyl N-[(Z)-naphthalen-1-ylmethylideneamino]carbamate
CID 5399199
2-[2-[(Z)-(ethoxycarbonylhydrazinylidene)methyl]phenoxy]acetate
CID 7612645
ethyl N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]carbamate
CID 135458848
O-ethyl 2-[[2-[(E)-(ethoxycarbonylhydrazinylidene)methyl]phenyl]methylideneamino]ethanethioate;O-methyl 2-[[2-[(E)-(methoxycarbonylhydrazinylidene)methyl]phenyl]methylideneamino]ethanethioate
CID 172917136
ethyl N-[(E)-(2-methylthiophen-3-yl)methylideneamino]carbamate
CID 17389114
[2-[(ethoxycarbonylhydrazinylidene)methyl]phenyl] 2-chlorobenzoate
CID 171131741
N-[(2-methylphenyl)methylideneamino]undecanamide
CID 4136077
ethyl N-[(E)-(2,6-difluorophenyl)methylideneamino]carbamate
CID 6902012
ethyl N-[[4-(N-phenylanilino)phenyl]methylideneamino]carbamate
CID 4538267
ethyl N-[(Z)-naphthalen-2-ylmethylideneamino]carbamate
CID 5401750
1,2-bis[(E)-(2-methylphenyl)methylideneamino]guanidine
CID 118931056

Frequently Asked Questions

What is the IUPAC name of ethyl N-[(E)-(2-methylphenyl)methylideneamino]carbamate?
The IUPAC name of ethyl N-[(E)-(2-methylphenyl)methylideneamino]carbamate (CID 6861612) is ethyl N-[(E)-(2-methylphenyl)methylideneamino]carbamate.
What is the SMILES notation for ethyl N-[(E)-(2-methylphenyl)methylideneamino]carbamate?
The canonical SMILES for ethyl N-[(E)-(2-methylphenyl)methylideneamino]carbamate is CCOC(=O)N/N=C/c1ccccc1C.
What is the InChIKey of ethyl N-[(E)-(2-methylphenyl)methylideneamino]carbamate?
The InChIKey is DAVYYRWYGOSNOL-XYOKQWHBSA-N. The full InChI is InChI=1S/C11H14N2O2/c1-3-15-11(14)13-12-8-10-7-5-4-6-9(10)2/h4-8H,3H2,1-2H3,(H,13,14)/b12-8+.
What are the key properties of ethyl N-[(E)-(2-methylphenyl)methylideneamino]carbamate?
ethyl N-[(E)-(2-methylphenyl)methylideneamino]carbamate has a molecular weight of 206.24 g/mol, XLogP of 2.08, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[(E)-(2-methylphenyl)methylideneamino]carbamate is sourced from PubChem (CID 6861612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).