ethyl N-(2-chloroprop-2-enyl)-N-(2-oxoethyl)carbamate

C8H12ClNO3 — CID 19738500

IUPACethyl N-(2-chloroprop-2-enyl)-N-(2-oxoethyl)carbamate
SMILESC=C(Cl)CN(CC=O)C(=O)OCC
InChIInChI=1S/C8H12ClNO3/c1-3-13-8(12)10(4-5-11)6-7(2)9/h5H,2-4,6H2,1H3
InChIKeyBYOFKBRBOYJQKG-UHFFFAOYSA-N
MW205.64 g/mol
LogP1.40
Rot. Bonds5

About ethyl N-(2-chloroprop-2-enyl)-N-(2-oxoethyl)carbamate

ethyl N-(2-chloroprop-2-enyl)-N-(2-oxoethyl)carbamate (PubChem CID 19738500) has the molecular formula C8H12ClNO3 and a molecular weight of 205.64 g/mol. Its IUPAC name is ethyl N-(2-chloroprop-2-enyl)-N-(2-oxoethyl)carbamate.

Molecular Properties

Compound Nameethyl N-(2-chloroprop-2-enyl)-N-(2-oxoethyl)carbamate
PubChem CID19738500
Molecular FormulaC8H12ClNO3
Molecular Weight205.64 g/mol
Exact Mass205.05
IUPAC Nameethyl N-(2-chloroprop-2-enyl)-N-(2-oxoethyl)carbamate
SMILESC=C(Cl)CN(CC=O)C(=O)OCC
InChIInChI=1S/C8H12ClNO3/c1-3-13-8(12)10(4-5-11)6-7(2)9/h5H,2-4,6H2,1H3
InChIKeyBYOFKBRBOYJQKG-UHFFFAOYSA-N
XLogP1.40
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.64
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl N-(2-chloroprop-2-enyl)-N-(2-oxoethyl)carbamate?
The IUPAC name of ethyl N-(2-chloroprop-2-enyl)-N-(2-oxoethyl)carbamate (CID 19738500) is ethyl N-(2-chloroprop-2-enyl)-N-(2-oxoethyl)carbamate.
What is the SMILES notation for ethyl N-(2-chloroprop-2-enyl)-N-(2-oxoethyl)carbamate?
The canonical SMILES for ethyl N-(2-chloroprop-2-enyl)-N-(2-oxoethyl)carbamate is C=C(Cl)CN(CC=O)C(=O)OCC.
What is the InChIKey of ethyl N-(2-chloroprop-2-enyl)-N-(2-oxoethyl)carbamate?
The InChIKey is BYOFKBRBOYJQKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12ClNO3/c1-3-13-8(12)10(4-5-11)6-7(2)9/h5H,2-4,6H2,1H3.
What are the key properties of ethyl N-(2-chloroprop-2-enyl)-N-(2-oxoethyl)carbamate?
ethyl N-(2-chloroprop-2-enyl)-N-(2-oxoethyl)carbamate has a molecular weight of 205.64 g/mol, XLogP of 1.40, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(2-chloroprop-2-enyl)-N-(2-oxoethyl)carbamate is sourced from PubChem (CID 19738500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).