tert-butyl N-[(E)-4-cyclohexylidenebut-2-enyl]carbamate

C15H25NO2 — CID 14395680

IUPACtert-butyl N-[(E)-4-cyclohexylidenebut-2-enyl]carbamate
SMILESCC(C)(C)OC(=O)NC/C=C/C=C1CCCCC1
InChIInChI=1S/C15H25NO2/c1-15(2,3)18-14(17)16-12-8-7-11-13-9-5-4-6-10-13/h7-8,11H,4-6,9-10,12H2,1-3H3,(H,16,17)/b8-7+
InChIKeyMZWLQNHDBUIHJT-BQYQJAHWSA-N
MW251.37 g/mol
LogP3.96
Rot. Bonds3

About tert-butyl N-[(E)-4-cyclohexylidenebut-2-enyl]carbamate

tert-butyl N-[(E)-4-cyclohexylidenebut-2-enyl]carbamate (PubChem CID 14395680) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is tert-butyl N-[(E)-4-cyclohexylidenebut-2-enyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(E)-4-cyclohexylidenebut-2-enyl]carbamate
PubChem CID14395680
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Nametert-butyl N-[(E)-4-cyclohexylidenebut-2-enyl]carbamate
SMILESCC(C)(C)OC(=O)NC/C=C/C=C1CCCCC1
InChIInChI=1S/C15H25NO2/c1-15(2,3)18-14(17)16-12-8-7-11-13-9-5-4-6-10-13/h7-8,11H,4-6,9-10,12H2,1-3H3,(H,16,17)/b8-7+
InChIKeyMZWLQNHDBUIHJT-BQYQJAHWSA-N
XLogP3.96
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(E)-4-cyclohexylidenebut-2-enyl]carbamate?
The IUPAC name of tert-butyl N-[(E)-4-cyclohexylidenebut-2-enyl]carbamate (CID 14395680) is tert-butyl N-[(E)-4-cyclohexylidenebut-2-enyl]carbamate.
What is the SMILES notation for tert-butyl N-[(E)-4-cyclohexylidenebut-2-enyl]carbamate?
The canonical SMILES for tert-butyl N-[(E)-4-cyclohexylidenebut-2-enyl]carbamate is CC(C)(C)OC(=O)NC/C=C/C=C1CCCCC1.
What is the InChIKey of tert-butyl N-[(E)-4-cyclohexylidenebut-2-enyl]carbamate?
The InChIKey is MZWLQNHDBUIHJT-BQYQJAHWSA-N. The full InChI is InChI=1S/C15H25NO2/c1-15(2,3)18-14(17)16-12-8-7-11-13-9-5-4-6-10-13/h7-8,11H,4-6,9-10,12H2,1-3H3,(H,16,17)/b8-7+.
What are the key properties of tert-butyl N-[(E)-4-cyclohexylidenebut-2-enyl]carbamate?
tert-butyl N-[(E)-4-cyclohexylidenebut-2-enyl]carbamate has a molecular weight of 251.37 g/mol, XLogP of 3.96, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(E)-4-cyclohexylidenebut-2-enyl]carbamate is sourced from PubChem (CID 14395680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).