tert-butyl N-(1-cyclohexylbut-3-enyl)carbamate

C15H27NO2 — CID 19816744

IUPACtert-butyl N-(1-cyclohexylbut-3-enyl)carbamate
SMILESC=CCC(NC(=O)OC(C)(C)C)C1CCCCC1
InChIInChI=1S/C15H27NO2/c1-5-9-13(12-10-7-6-8-11-12)16-14(17)18-15(2,3)4/h5,12-13H,1,6-11H2,2-4H3,(H,16,17)
InChIKeyGVZLSVYPQBGROU-UHFFFAOYSA-N
MW253.39 g/mol
LogP4.04
Rot. Bonds4

About tert-butyl N-(1-cyclohexylbut-3-enyl)carbamate

tert-butyl N-(1-cyclohexylbut-3-enyl)carbamate (PubChem CID 19816744) has the molecular formula C15H27NO2 and a molecular weight of 253.39 g/mol. Its IUPAC name is tert-butyl N-(1-cyclohexylbut-3-enyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(1-cyclohexylbut-3-enyl)carbamate
PubChem CID19816744
Molecular FormulaC15H27NO2
Molecular Weight253.39 g/mol
Exact Mass253.20
IUPAC Nametert-butyl N-(1-cyclohexylbut-3-enyl)carbamate
SMILESC=CCC(NC(=O)OC(C)(C)C)C1CCCCC1
InChIInChI=1S/C15H27NO2/c1-5-9-13(12-10-7-6-8-11-12)16-14(17)18-15(2,3)4/h5,12-13H,1,6-11H2,2-4H3,(H,16,17)
InChIKeyGVZLSVYPQBGROU-UHFFFAOYSA-N
XLogP4.04
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 54.04
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 tert-butyl N-(1-cyclohexylbut-3-enyl)carbamate?
The IUPAC name of tert-butyl N-(1-cyclohexylbut-3-enyl)carbamate (CID 19816744) is tert-butyl N-(1-cyclohexylbut-3-enyl)carbamate.
What is the SMILES notation for tert-butyl N-(1-cyclohexylbut-3-enyl)carbamate?
The canonical SMILES for tert-butyl N-(1-cyclohexylbut-3-enyl)carbamate is C=CCC(NC(=O)OC(C)(C)C)C1CCCCC1.
What is the InChIKey of tert-butyl N-(1-cyclohexylbut-3-enyl)carbamate?
The InChIKey is GVZLSVYPQBGROU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO2/c1-5-9-13(12-10-7-6-8-11-12)16-14(17)18-15(2,3)4/h5,12-13H,1,6-11H2,2-4H3,(H,16,17).
What are the key properties of tert-butyl N-(1-cyclohexylbut-3-enyl)carbamate?
tert-butyl N-(1-cyclohexylbut-3-enyl)carbamate has a molecular weight of 253.39 g/mol, XLogP of 4.04, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(1-cyclohexylbut-3-enyl)carbamate is sourced from PubChem (CID 19816744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).