3-methylbut-3-enyl N-cyclohexylcarbamate

C12H21NO2 — CID 22978790

IUPAC3-methylbut-3-enyl N-cyclohexylcarbamate
SMILESC=C(C)CCOC(=O)NC1CCCCC1
InChIInChI=1S/C12H21NO2/c1-10(2)8-9-15-12(14)13-11-6-4-3-5-7-11/h11H,1,3-9H2,2H3,(H,13,14)
InChIKeyUKDWQYZBYACSCJ-UHFFFAOYSA-N
MW211.30 g/mol
LogP3.01
Rot. Bonds4

About 3-methylbut-3-enyl N-cyclohexylcarbamate

3-methylbut-3-enyl N-cyclohexylcarbamate (PubChem CID 22978790) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is 3-methylbut-3-enyl N-cyclohexylcarbamate.

Molecular Properties

Compound Name3-methylbut-3-enyl N-cyclohexylcarbamate
PubChem CID22978790
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC Name3-methylbut-3-enyl N-cyclohexylcarbamate
SMILESC=C(C)CCOC(=O)NC1CCCCC1
InChIInChI=1S/C12H21NO2/c1-10(2)8-9-15-12(14)13-11-6-4-3-5-7-11/h11H,1,3-9H2,2H3,(H,13,14)
InChIKeyUKDWQYZBYACSCJ-UHFFFAOYSA-N
XLogP3.01
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 53.01
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 3-methylbut-3-enyl N-cyclohexylcarbamate?
The IUPAC name of 3-methylbut-3-enyl N-cyclohexylcarbamate (CID 22978790) is 3-methylbut-3-enyl N-cyclohexylcarbamate.
What is the SMILES notation for 3-methylbut-3-enyl N-cyclohexylcarbamate?
The canonical SMILES for 3-methylbut-3-enyl N-cyclohexylcarbamate is C=C(C)CCOC(=O)NC1CCCCC1.
What is the InChIKey of 3-methylbut-3-enyl N-cyclohexylcarbamate?
The InChIKey is UKDWQYZBYACSCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2/c1-10(2)8-9-15-12(14)13-11-6-4-3-5-7-11/h11H,1,3-9H2,2H3,(H,13,14).
What are the key properties of 3-methylbut-3-enyl N-cyclohexylcarbamate?
3-methylbut-3-enyl N-cyclohexylcarbamate has a molecular weight of 211.30 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylbut-3-enyl N-cyclohexylcarbamate is sourced from PubChem (CID 22978790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).