tert-butyl N-[(1R)-cyclohex-3-en-1-yl]carbamate

C11H19NO2 — CID 66696471

IUPACtert-butyl N-[(1R)-cyclohex-3-en-1-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@H]1CC=CCC1
InChIInChI=1S/C11H19NO2/c1-11(2,3)14-10(13)12-9-7-5-4-6-8-9/h4-5,9H,6-8H2,1-3H3,(H,12,13)/t9-/m0/s1
InChIKeyIRBIWNJTHWLIMD-VIFPVBQESA-N
MW197.28 g/mol
LogP2.62
Rot. Bonds1

About tert-butyl N-[(1R)-cyclohex-3-en-1-yl]carbamate

tert-butyl N-[(1R)-cyclohex-3-en-1-yl]carbamate (PubChem CID 66696471) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is tert-butyl N-[(1R)-cyclohex-3-en-1-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1R)-cyclohex-3-en-1-yl]carbamate
PubChem CID66696471
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Nametert-butyl N-[(1R)-cyclohex-3-en-1-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@H]1CC=CCC1
InChIInChI=1S/C11H19NO2/c1-11(2,3)14-10(13)12-9-7-5-4-6-8-9/h4-5,9H,6-8H2,1-3H3,(H,12,13)/t9-/m0/s1
InChIKeyIRBIWNJTHWLIMD-VIFPVBQESA-N
XLogP2.62
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 52.62
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)-cyclohex-3-en-1-yl]carbamate?
The IUPAC name of tert-butyl N-[(1R)-cyclohex-3-en-1-yl]carbamate (CID 66696471) is tert-butyl N-[(1R)-cyclohex-3-en-1-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(1R)-cyclohex-3-en-1-yl]carbamate?
The canonical SMILES for tert-butyl N-[(1R)-cyclohex-3-en-1-yl]carbamate is CC(C)(C)OC(=O)N[C@H]1CC=CCC1.
What is the InChIKey of tert-butyl N-[(1R)-cyclohex-3-en-1-yl]carbamate?
The InChIKey is IRBIWNJTHWLIMD-VIFPVBQESA-N. The full InChI is InChI=1S/C11H19NO2/c1-11(2,3)14-10(13)12-9-7-5-4-6-8-9/h4-5,9H,6-8H2,1-3H3,(H,12,13)/t9-/m0/s1.
What are the key properties of tert-butyl N-[(1R)-cyclohex-3-en-1-yl]carbamate?
tert-butyl N-[(1R)-cyclohex-3-en-1-yl]carbamate has a molecular weight of 197.28 g/mol, XLogP of 2.62, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1R)-cyclohex-3-en-1-yl]carbamate is sourced from PubChem (CID 66696471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).