2-chloroethyl N-methylidenecarbamate

C4H6ClNO2 — CID 55302938

IUPAC2-chloroethyl N-methylidenecarbamate
SMILESC=NC(=O)OCCCl
InChIInChI=1S/C4H6ClNO2/c1-6-4(7)8-3-2-5/h1-3H2
InChIKeyFXJUFUNLZREQAI-UHFFFAOYSA-N
MW135.55 g/mol
LogP1.06
Rot. Bonds2

About 2-chloroethyl N-methylidenecarbamate

2-chloroethyl N-methylidenecarbamate (PubChem CID 55302938) has the molecular formula C4H6ClNO2 and a molecular weight of 135.55 g/mol. Its IUPAC name is 2-chloroethyl N-methylidenecarbamate.

Molecular Properties

Compound Name2-chloroethyl N-methylidenecarbamate
PubChem CID55302938
Molecular FormulaC4H6ClNO2
Molecular Weight135.55 g/mol
Exact Mass135.01
IUPAC Name2-chloroethyl N-methylidenecarbamate
SMILESC=NC(=O)OCCCl
InChIInChI=1S/C4H6ClNO2/c1-6-4(7)8-3-2-5/h1-3H2
InChIKeyFXJUFUNLZREQAI-UHFFFAOYSA-N
XLogP1.06
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.55
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-chloroethyl prop-2-enoate;ruthenium
CID 90254573
2-chloroethyl prop-2-enoate
CID 16627
2-chloroethyl 2-hydroxyacetate
CID 10034696
2-chloroethoxycarbonyloxyperoxy 2-chloroethyl carbonate
CID 142696815
(3-carbamoyloxy-2-oxopropyl) N-methylidenecarbamate
CID 163749139
2-chloroethyl N-(methylamino)carbamate
CID 55302398
3-fluoropropyl N-sulfonylcarbamate
CID 175211437
2-chloroethyl 2,2-dimethylpropyl carbonate
CID 91693115
2-chloroethyl 3-propanoyloxypropanoate
CID 173277422
1-chloroethyl 2-chloroethyl carbonate
CID 87128668
bis(2-chloroethyl) cyclohexane-1,2-dicarboxylate
CID 91697761
2-chloroethyl 2-phenylprop-2-enoate
CID 56997241

Frequently Asked Questions

What is the IUPAC name of 2-chloroethyl N-methylidenecarbamate?
The IUPAC name of 2-chloroethyl N-methylidenecarbamate (CID 55302938) is 2-chloroethyl N-methylidenecarbamate.
What is the SMILES notation for 2-chloroethyl N-methylidenecarbamate?
The canonical SMILES for 2-chloroethyl N-methylidenecarbamate is C=NC(=O)OCCCl.
What is the InChIKey of 2-chloroethyl N-methylidenecarbamate?
The InChIKey is FXJUFUNLZREQAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6ClNO2/c1-6-4(7)8-3-2-5/h1-3H2.
What are the key properties of 2-chloroethyl N-methylidenecarbamate?
2-chloroethyl N-methylidenecarbamate has a molecular weight of 135.55 g/mol, XLogP of 1.06, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloroethyl N-methylidenecarbamate is sourced from PubChem (CID 55302938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).