1-chloroethyl N-ethyl-N-propan-2-ylcarbamate

C8H16ClNO2 — CID 86696296

IUPAC1-chloroethyl N-ethyl-N-propan-2-ylcarbamate
SMILESCCN(C(=O)OC(C)Cl)C(C)C
InChIInChI=1S/C8H16ClNO2/c1-5-10(6(2)3)8(11)12-7(4)9/h6-7H,5H2,1-4H3
InChIKeyFEWGEPAZRSVNOW-UHFFFAOYSA-N
MW193.67 g/mol
LogP2.44
Rot. Bonds3

About 1-chloroethyl N-ethyl-N-propan-2-ylcarbamate

1-chloroethyl N-ethyl-N-propan-2-ylcarbamate (PubChem CID 86696296) has the molecular formula C8H16ClNO2 and a molecular weight of 193.67 g/mol. Its IUPAC name is 1-chloroethyl N-ethyl-N-propan-2-ylcarbamate.

Molecular Properties

Compound Name1-chloroethyl N-ethyl-N-propan-2-ylcarbamate
PubChem CID86696296
Molecular FormulaC8H16ClNO2
Molecular Weight193.67 g/mol
Exact Mass193.09
IUPAC Name1-chloroethyl N-ethyl-N-propan-2-ylcarbamate
SMILESCCN(C(=O)OC(C)Cl)C(C)C
InChIInChI=1S/C8H16ClNO2/c1-5-10(6(2)3)8(11)12-7(4)9/h6-7H,5H2,1-4H3
InChIKeyFEWGEPAZRSVNOW-UHFFFAOYSA-N
XLogP2.44
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.67
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-chloroethyl N-ethyl-N-propan-2-ylcarbamate?
The IUPAC name of 1-chloroethyl N-ethyl-N-propan-2-ylcarbamate (CID 86696296) is 1-chloroethyl N-ethyl-N-propan-2-ylcarbamate.
What is the SMILES notation for 1-chloroethyl N-ethyl-N-propan-2-ylcarbamate?
The canonical SMILES for 1-chloroethyl N-ethyl-N-propan-2-ylcarbamate is CCN(C(=O)OC(C)Cl)C(C)C.
What is the InChIKey of 1-chloroethyl N-ethyl-N-propan-2-ylcarbamate?
The InChIKey is FEWGEPAZRSVNOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16ClNO2/c1-5-10(6(2)3)8(11)12-7(4)9/h6-7H,5H2,1-4H3.
What are the key properties of 1-chloroethyl N-ethyl-N-propan-2-ylcarbamate?
1-chloroethyl N-ethyl-N-propan-2-ylcarbamate has a molecular weight of 193.67 g/mol, XLogP of 2.44, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloroethyl N-ethyl-N-propan-2-ylcarbamate is sourced from PubChem (CID 86696296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).