methyl N-[(E)-(2-chlorophenyl)methylideneamino]carbamate

C9H9ClN2O2 — CID 6861690

IUPACmethyl N-[(E)-(2-chlorophenyl)methylideneamino]carbamate
SMILESCOC(=O)N/N=C/c1ccccc1Cl
InChIInChI=1S/C9H9ClN2O2/c1-14-9(13)12-11-6-7-4-2-3-5-8(7)10/h2-6H,1H3,(H,12,13)/b11-6+
InChIKeyCRQYZVSUKGORJG-IZZDOVSWSA-N
MW212.64 g/mol
LogP2.03
Rot. Bonds2

About methyl N-[(E)-(2-chlorophenyl)methylideneamino]carbamate

methyl N-[(E)-(2-chlorophenyl)methylideneamino]carbamate (PubChem CID 6861690) has the molecular formula C9H9ClN2O2 and a molecular weight of 212.64 g/mol. Its IUPAC name is methyl N-[(E)-(2-chlorophenyl)methylideneamino]carbamate.

Molecular Properties

Compound Namemethyl N-[(E)-(2-chlorophenyl)methylideneamino]carbamate
PubChem CID6861690
Molecular FormulaC9H9ClN2O2
Molecular Weight212.64 g/mol
Exact Mass212.04
IUPAC Namemethyl N-[(E)-(2-chlorophenyl)methylideneamino]carbamate
SMILESCOC(=O)N/N=C/c1ccccc1Cl
InChIInChI=1S/C9H9ClN2O2/c1-14-9(13)12-11-6-7-4-2-3-5-8(7)10/h2-6H,1H3,(H,12,13)/b11-6+
InChIKeyCRQYZVSUKGORJG-IZZDOVSWSA-N
XLogP2.03
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.64
LogP ≤ 52.03
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

methyl 2-[(E)-phenylmethylidene]-1-hydrazinecarboxylate
CID 9557398
4-Chlorobenzaldehyde semicarbazone
CID 9566093
1,5-Bis(2-chlorobenzylidene)carbonohydrazide
CID 9584581
Hydrazinecarboxaldehyde, ((2-chlorophenyl)methylene)-, (E)-
CID 9568570
ethyl N-[(E)-[(Z)-2-chloro-3-phenylprop-2-enylidene]amino]carbamate
CID 9647141
Ethyl 2-benzylidenehydrazinecarboxylate
CID 5368159
Ethyl 2-(4-chlorobenzylidene)hydrazinecarboxylate
CID 6861624
Hydrazinecarboxamide, 2-(2,6-dichlorophenyl)methylene-
CID 6861640
2-Chlorobenzaldehyde semicarbazone
CID 9566091
3-Chlorobenzaldehyde semicarbazone
CID 9603065
Carbazic acid, 2-(2,4-dichloro-alpha-methylbenzylidene)-, ethyl ester
CID 6106669
Carbazic acid, 2-(2,4-dichlorobenzylidene)-, ethyl ester
CID 6861625

Frequently Asked Questions

What is the IUPAC name of methyl N-[(E)-(2-chlorophenyl)methylideneamino]carbamate?
The IUPAC name of methyl N-[(E)-(2-chlorophenyl)methylideneamino]carbamate (CID 6861690) is methyl N-[(E)-(2-chlorophenyl)methylideneamino]carbamate.
What is the SMILES notation for methyl N-[(E)-(2-chlorophenyl)methylideneamino]carbamate?
The canonical SMILES for methyl N-[(E)-(2-chlorophenyl)methylideneamino]carbamate is COC(=O)N/N=C/c1ccccc1Cl.
What is the InChIKey of methyl N-[(E)-(2-chlorophenyl)methylideneamino]carbamate?
The InChIKey is CRQYZVSUKGORJG-IZZDOVSWSA-N. The full InChI is InChI=1S/C9H9ClN2O2/c1-14-9(13)12-11-6-7-4-2-3-5-8(7)10/h2-6H,1H3,(H,12,13)/b11-6+.
What are the key properties of methyl N-[(E)-(2-chlorophenyl)methylideneamino]carbamate?
methyl N-[(E)-(2-chlorophenyl)methylideneamino]carbamate has a molecular weight of 212.64 g/mol, XLogP of 2.03, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[(E)-(2-chlorophenyl)methylideneamino]carbamate is sourced from PubChem (CID 6861690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).