cyclohexen-1-ylmethyl carbamate

C8H13NO2 — CID 11159440

IUPACcyclohexen-1-ylmethyl carbamate
SMILESNC(=O)OCC1=CCCCC1
InChIInChI=1S/C8H13NO2/c9-8(10)11-6-7-4-2-1-3-5-7/h4H,1-3,5-6H2,(H2,9,10)
InChIKeyPNIWIQARMVTPHZ-UHFFFAOYSA-N
MW155.20 g/mol
LogP1.58
Rot. Bonds2

About cyclohexen-1-ylmethyl carbamate

cyclohexen-1-ylmethyl carbamate (PubChem CID 11159440) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is cyclohexen-1-ylmethyl carbamate.

Molecular Properties

Compound Namecyclohexen-1-ylmethyl carbamate
PubChem CID11159440
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Namecyclohexen-1-ylmethyl carbamate
SMILESNC(=O)OCC1=CCCCC1
InChIInChI=1S/C8H13NO2/c9-8(10)11-6-7-4-2-1-3-5-7/h4H,1-3,5-6H2,(H2,9,10)
InChIKeyPNIWIQARMVTPHZ-UHFFFAOYSA-N
XLogP1.58
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of cyclohexen-1-ylmethyl carbamate?
The IUPAC name of cyclohexen-1-ylmethyl carbamate (CID 11159440) is cyclohexen-1-ylmethyl carbamate.
What is the SMILES notation for cyclohexen-1-ylmethyl carbamate?
The canonical SMILES for cyclohexen-1-ylmethyl carbamate is NC(=O)OCC1=CCCCC1.
What is the InChIKey of cyclohexen-1-ylmethyl carbamate?
The InChIKey is PNIWIQARMVTPHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2/c9-8(10)11-6-7-4-2-1-3-5-7/h4H,1-3,5-6H2,(H2,9,10).
What are the key properties of cyclohexen-1-ylmethyl carbamate?
cyclohexen-1-ylmethyl carbamate has a molecular weight of 155.20 g/mol, XLogP of 1.58, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexen-1-ylmethyl carbamate is sourced from PubChem (CID 11159440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).