tert-butyl N-[(1R)-1-cyclohexylprop-2-enyl]carbamate

C14H25NO2 — CID 124704220

IUPACtert-butyl N-[(1R)-1-cyclohexylprop-2-enyl]carbamate
SMILESC=C[C@@H](NC(=O)OC(C)(C)C)C1CCCCC1
InChIInChI=1S/C14H25NO2/c1-5-12(11-9-7-6-8-10-11)15-13(16)17-14(2,3)4/h5,11-12H,1,6-10H2,2-4H3,(H,15,16)/t12-/m1/s1
InChIKeyRANHDLWYOASZFB-GFCCVEGCSA-N
MW239.36 g/mol
LogP3.65
Rot. Bonds3

About tert-butyl N-[(1R)-1-cyclohexylprop-2-enyl]carbamate

tert-butyl N-[(1R)-1-cyclohexylprop-2-enyl]carbamate (PubChem CID 124704220) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is tert-butyl N-[(1R)-1-cyclohexylprop-2-enyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1R)-1-cyclohexylprop-2-enyl]carbamate
PubChem CID124704220
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC Nametert-butyl N-[(1R)-1-cyclohexylprop-2-enyl]carbamate
SMILESC=C[C@@H](NC(=O)OC(C)(C)C)C1CCCCC1
InChIInChI=1S/C14H25NO2/c1-5-12(11-9-7-6-8-10-11)15-13(16)17-14(2,3)4/h5,11-12H,1,6-10H2,2-4H3,(H,15,16)/t12-/m1/s1
InChIKeyRANHDLWYOASZFB-GFCCVEGCSA-N
XLogP3.65
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 53.65
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-[(1R)-1-cyclohexylprop-2-enyl]carbamate?
The IUPAC name of tert-butyl N-[(1R)-1-cyclohexylprop-2-enyl]carbamate (CID 124704220) is tert-butyl N-[(1R)-1-cyclohexylprop-2-enyl]carbamate.
What is the SMILES notation for tert-butyl N-[(1R)-1-cyclohexylprop-2-enyl]carbamate?
The canonical SMILES for tert-butyl N-[(1R)-1-cyclohexylprop-2-enyl]carbamate is C=C[C@@H](NC(=O)OC(C)(C)C)C1CCCCC1.
What is the InChIKey of tert-butyl N-[(1R)-1-cyclohexylprop-2-enyl]carbamate?
The InChIKey is RANHDLWYOASZFB-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H25NO2/c1-5-12(11-9-7-6-8-10-11)15-13(16)17-14(2,3)4/h5,11-12H,1,6-10H2,2-4H3,(H,15,16)/t12-/m1/s1.
What are the key properties of tert-butyl N-[(1R)-1-cyclohexylprop-2-enyl]carbamate?
tert-butyl N-[(1R)-1-cyclohexylprop-2-enyl]carbamate has a molecular weight of 239.36 g/mol, XLogP of 3.65, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1R)-1-cyclohexylprop-2-enyl]carbamate is sourced from PubChem (CID 124704220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).