1-cyclohexylethenyl carbamate

C9H15NO2 — CID 139620629

IUPAC1-cyclohexylethenyl carbamate
SMILESC=C(OC(N)=O)C1CCCCC1
InChIInChI=1S/C9H15NO2/c1-7(12-9(10)11)8-5-3-2-4-6-8/h8H,1-6H2,(H2,10,11)
InChIKeyXQYBHTMDFLJNGW-UHFFFAOYSA-N
MW169.22 g/mol
LogP2.18
Rot. Bonds2

About 1-cyclohexylethenyl carbamate

1-cyclohexylethenyl carbamate (PubChem CID 139620629) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is 1-cyclohexylethenyl carbamate.

Molecular Properties

Compound Name1-cyclohexylethenyl carbamate
PubChem CID139620629
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Name1-cyclohexylethenyl carbamate
SMILESC=C(OC(N)=O)C1CCCCC1
InChIInChI=1S/C9H15NO2/c1-7(12-9(10)11)8-5-3-2-4-6-8/h8H,1-6H2,(H2,10,11)
InChIKeyXQYBHTMDFLJNGW-UHFFFAOYSA-N
XLogP2.18
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexylethenyl carbamate?
The IUPAC name of 1-cyclohexylethenyl carbamate (CID 139620629) is 1-cyclohexylethenyl carbamate.
What is the SMILES notation for 1-cyclohexylethenyl carbamate?
The canonical SMILES for 1-cyclohexylethenyl carbamate is C=C(OC(N)=O)C1CCCCC1.
What is the InChIKey of 1-cyclohexylethenyl carbamate?
The InChIKey is XQYBHTMDFLJNGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2/c1-7(12-9(10)11)8-5-3-2-4-6-8/h8H,1-6H2,(H2,10,11).
What are the key properties of 1-cyclohexylethenyl carbamate?
1-cyclohexylethenyl carbamate has a molecular weight of 169.22 g/mol, XLogP of 2.18, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexylethenyl carbamate is sourced from PubChem (CID 139620629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).