(1-ethynylcyclohexyl) N-ethenylcarbamate

C11H15NO2 — CID 45091878

IUPAC(1-ethynylcyclohexyl) N-ethenylcarbamate
SMILESC#CC1(OC(=O)NC=C)CCCCC1
InChIInChI=1S/C11H15NO2/c1-3-11(8-6-5-7-9-11)14-10(13)12-4-2/h1,4H,2,5-9H2,(H,12,13)
InChIKeyWHTMMLXHWAWIBF-UHFFFAOYSA-N
MW193.25 g/mol
LogP2.19
Rot. Bonds2

About (1-ethynylcyclohexyl) N-ethenylcarbamate

(1-ethynylcyclohexyl) N-ethenylcarbamate (PubChem CID 45091878) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is (1-ethynylcyclohexyl) N-ethenylcarbamate.

Molecular Properties

Compound Name(1-ethynylcyclohexyl) N-ethenylcarbamate
PubChem CID45091878
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name(1-ethynylcyclohexyl) N-ethenylcarbamate
SMILESC#CC1(OC(=O)NC=C)CCCCC1
InChIInChI=1S/C11H15NO2/c1-3-11(8-6-5-7-9-11)14-10(13)12-4-2/h1,4H,2,5-9H2,(H,12,13)
InChIKeyWHTMMLXHWAWIBF-UHFFFAOYSA-N
XLogP2.19
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1-ethynylcyclohexyl) N-ethenylcarbamate?
The IUPAC name of (1-ethynylcyclohexyl) N-ethenylcarbamate (CID 45091878) is (1-ethynylcyclohexyl) N-ethenylcarbamate.
What is the SMILES notation for (1-ethynylcyclohexyl) N-ethenylcarbamate?
The canonical SMILES for (1-ethynylcyclohexyl) N-ethenylcarbamate is C#CC1(OC(=O)NC=C)CCCCC1.
What is the InChIKey of (1-ethynylcyclohexyl) N-ethenylcarbamate?
The InChIKey is WHTMMLXHWAWIBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c1-3-11(8-6-5-7-9-11)14-10(13)12-4-2/h1,4H,2,5-9H2,(H,12,13).
What are the key properties of (1-ethynylcyclohexyl) N-ethenylcarbamate?
(1-ethynylcyclohexyl) N-ethenylcarbamate has a molecular weight of 193.25 g/mol, XLogP of 2.19, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethynylcyclohexyl) N-ethenylcarbamate is sourced from PubChem (CID 45091878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).