2,2-dimethylpropyl N-[(E)-3-cyclohex-3-en-1-ylprop-2-enyl]carbamate

C15H25NO2 — CID 58895212

IUPAC2,2-dimethylpropyl N-[(E)-3-cyclohex-3-en-1-ylprop-2-enyl]carbamate
SMILESCC(C)(C)COC(=O)NC/C=C/C1CC=CCC1
InChIInChI=1S/C15H25NO2/c1-15(2,3)12-18-14(17)16-11-7-10-13-8-5-4-6-9-13/h4-5,7,10,13H,6,8-9,11-12H2,1-3H3,(H,16,17)/b10-7+
InChIKeyJFHHNTOJGCMYRF-JXMROGBWSA-N
MW251.37 g/mol
LogP3.67
Rot. Bonds4

About 2,2-dimethylpropyl N-[(E)-3-cyclohex-3-en-1-ylprop-2-enyl]carbamate

2,2-dimethylpropyl N-[(E)-3-cyclohex-3-en-1-ylprop-2-enyl]carbamate (PubChem CID 58895212) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is 2,2-dimethylpropyl N-[(E)-3-cyclohex-3-en-1-ylprop-2-enyl]carbamate.

Molecular Properties

Compound Name2,2-dimethylpropyl N-[(E)-3-cyclohex-3-en-1-ylprop-2-enyl]carbamate
PubChem CID58895212
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name2,2-dimethylpropyl N-[(E)-3-cyclohex-3-en-1-ylprop-2-enyl]carbamate
SMILESCC(C)(C)COC(=O)NC/C=C/C1CC=CCC1
InChIInChI=1S/C15H25NO2/c1-15(2,3)12-18-14(17)16-11-7-10-13-8-5-4-6-9-13/h4-5,7,10,13H,6,8-9,11-12H2,1-3H3,(H,16,17)/b10-7+
InChIKeyJFHHNTOJGCMYRF-JXMROGBWSA-N
XLogP3.67
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 53.67
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 2,2-dimethylpropyl N-[(E)-3-cyclohex-3-en-1-ylprop-2-enyl]carbamate?
The IUPAC name of 2,2-dimethylpropyl N-[(E)-3-cyclohex-3-en-1-ylprop-2-enyl]carbamate (CID 58895212) is 2,2-dimethylpropyl N-[(E)-3-cyclohex-3-en-1-ylprop-2-enyl]carbamate.
What is the SMILES notation for 2,2-dimethylpropyl N-[(E)-3-cyclohex-3-en-1-ylprop-2-enyl]carbamate?
The canonical SMILES for 2,2-dimethylpropyl N-[(E)-3-cyclohex-3-en-1-ylprop-2-enyl]carbamate is CC(C)(C)COC(=O)NC/C=C/C1CC=CCC1.
What is the InChIKey of 2,2-dimethylpropyl N-[(E)-3-cyclohex-3-en-1-ylprop-2-enyl]carbamate?
The InChIKey is JFHHNTOJGCMYRF-JXMROGBWSA-N. The full InChI is InChI=1S/C15H25NO2/c1-15(2,3)12-18-14(17)16-11-7-10-13-8-5-4-6-9-13/h4-5,7,10,13H,6,8-9,11-12H2,1-3H3,(H,16,17)/b10-7+.
What are the key properties of 2,2-dimethylpropyl N-[(E)-3-cyclohex-3-en-1-ylprop-2-enyl]carbamate?
2,2-dimethylpropyl N-[(E)-3-cyclohex-3-en-1-ylprop-2-enyl]carbamate has a molecular weight of 251.37 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethylpropyl N-[(E)-3-cyclohex-3-en-1-ylprop-2-enyl]carbamate is sourced from PubChem (CID 58895212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).