tert-butyl N-[4-(6-bicyclo[3.2.0]hept-3-enylamino)phenyl]carbamate

C18H24N2O2 — CID 107240434

IUPACtert-butyl N-[4-(6-bicyclo[3.2.0]hept-3-enylamino)phenyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1ccc(NC2CC3CC=CC32)cc1
InChIInChI=1S/C18H24N2O2/c1-18(2,3)22-17(21)20-14-9-7-13(8-10-14)19-16-11-12-5-4-6-15(12)16/h4,6-10,12,15-16,19H,5,11H2,1-3H3,(H,20,21)
InChIKeyHWOFMCWBHRMUJA-UHFFFAOYSA-N
MW300.40 g/mol
LogP4.41
Rot. Bonds3

About tert-butyl N-[4-(6-bicyclo[3.2.0]hept-3-enylamino)phenyl]carbamate

tert-butyl N-[4-(6-bicyclo[3.2.0]hept-3-enylamino)phenyl]carbamate (PubChem CID 107240434) has the molecular formula C18H24N2O2 and a molecular weight of 300.40 g/mol. Its IUPAC name is tert-butyl N-[4-(6-bicyclo[3.2.0]hept-3-enylamino)phenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-(6-bicyclo[3.2.0]hept-3-enylamino)phenyl]carbamate
PubChem CID107240434
Molecular FormulaC18H24N2O2
Molecular Weight300.40 g/mol
Exact Mass300.18
IUPAC Nametert-butyl N-[4-(6-bicyclo[3.2.0]hept-3-enylamino)phenyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1ccc(NC2CC3CC=CC32)cc1
InChIInChI=1S/C18H24N2O2/c1-18(2,3)22-17(21)20-14-9-7-13(8-10-14)19-16-11-12-5-4-6-15(12)16/h4,6-10,12,15-16,19H,5,11H2,1-3H3,(H,20,21)
InChIKeyHWOFMCWBHRMUJA-UHFFFAOYSA-N
XLogP4.41
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-[4-(6-bicyclo[3.2.0]hept-3-enylamino)phenyl]carbamate?
The IUPAC name of tert-butyl N-[4-(6-bicyclo[3.2.0]hept-3-enylamino)phenyl]carbamate (CID 107240434) is tert-butyl N-[4-(6-bicyclo[3.2.0]hept-3-enylamino)phenyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-(6-bicyclo[3.2.0]hept-3-enylamino)phenyl]carbamate?
The canonical SMILES for tert-butyl N-[4-(6-bicyclo[3.2.0]hept-3-enylamino)phenyl]carbamate is CC(C)(C)OC(=O)Nc1ccc(NC2CC3CC=CC32)cc1.
What is the InChIKey of tert-butyl N-[4-(6-bicyclo[3.2.0]hept-3-enylamino)phenyl]carbamate?
The InChIKey is HWOFMCWBHRMUJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O2/c1-18(2,3)22-17(21)20-14-9-7-13(8-10-14)19-16-11-12-5-4-6-15(12)16/h4,6-10,12,15-16,19H,5,11H2,1-3H3,(H,20,21).
What are the key properties of tert-butyl N-[4-(6-bicyclo[3.2.0]hept-3-enylamino)phenyl]carbamate?
tert-butyl N-[4-(6-bicyclo[3.2.0]hept-3-enylamino)phenyl]carbamate has a molecular weight of 300.40 g/mol, XLogP of 4.41, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-(6-bicyclo[3.2.0]hept-3-enylamino)phenyl]carbamate is sourced from PubChem (CID 107240434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).