[(E)-3-(4-chlorophenyl)prop-2-enyl] carbamate

C10H10ClNO2 — CID 54762926

IUPAC[(E)-3-(4-chlorophenyl)prop-2-enyl] carbamate
SMILESNC(=O)OC/C=C/c1ccc(Cl)cc1
InChIInChI=1S/C10H10ClNO2/c11-9-5-3-8(4-6-9)2-1-7-14-10(12)13/h1-6H,7H2,(H2,12,13)/b2-1+
InChIKeyLVILXTCLYXDXBR-OWOJBTEDSA-N
MW211.65 g/mol
LogP2.45
Rot. Bonds3

About [(E)-3-(4-chlorophenyl)prop-2-enyl] carbamate

[(E)-3-(4-chlorophenyl)prop-2-enyl] carbamate (PubChem CID 54762926) has the molecular formula C10H10ClNO2 and a molecular weight of 211.65 g/mol. Its IUPAC name is [(E)-3-(4-chlorophenyl)prop-2-enyl] carbamate.

Molecular Properties

Compound Name[(E)-3-(4-chlorophenyl)prop-2-enyl] carbamate
PubChem CID54762926
Molecular FormulaC10H10ClNO2
Molecular Weight211.65 g/mol
Exact Mass211.04
IUPAC Name[(E)-3-(4-chlorophenyl)prop-2-enyl] carbamate
SMILESNC(=O)OC/C=C/c1ccc(Cl)cc1
InChIInChI=1S/C10H10ClNO2/c11-9-5-3-8(4-6-9)2-1-7-14-10(12)13/h1-6H,7H2,(H2,12,13)/b2-1+
InChIKeyLVILXTCLYXDXBR-OWOJBTEDSA-N
XLogP2.45
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.65
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(E)-3-(4-chlorophenyl)prop-2-enyl] carbamate?
The IUPAC name of [(E)-3-(4-chlorophenyl)prop-2-enyl] carbamate (CID 54762926) is [(E)-3-(4-chlorophenyl)prop-2-enyl] carbamate.
What is the SMILES notation for [(E)-3-(4-chlorophenyl)prop-2-enyl] carbamate?
The canonical SMILES for [(E)-3-(4-chlorophenyl)prop-2-enyl] carbamate is NC(=O)OC/C=C/c1ccc(Cl)cc1.
What is the InChIKey of [(E)-3-(4-chlorophenyl)prop-2-enyl] carbamate?
The InChIKey is LVILXTCLYXDXBR-OWOJBTEDSA-N. The full InChI is InChI=1S/C10H10ClNO2/c11-9-5-3-8(4-6-9)2-1-7-14-10(12)13/h1-6H,7H2,(H2,12,13)/b2-1+.
What are the key properties of [(E)-3-(4-chlorophenyl)prop-2-enyl] carbamate?
[(E)-3-(4-chlorophenyl)prop-2-enyl] carbamate has a molecular weight of 211.65 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-3-(4-chlorophenyl)prop-2-enyl] carbamate is sourced from PubChem (CID 54762926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).