N-(4-methylphenyl)-8-azabicyclo[3.2.1]oct-2-ene-8-carboxamide

C15H18N2O — CID 90627328

IUPACN-(4-methylphenyl)-8-azabicyclo[3.2.1]oct-2-ene-8-carboxamide
SMILESCc1ccc(NC(=O)N2C3C=CCC2CC3)cc1
InChIInChI=1S/C15H18N2O/c1-11-5-7-12(8-6-11)16-15(18)17-13-3-2-4-14(17)10-9-13/h2-3,5-8,13-14H,4,9-10H2,1H3,(H,16,18)
InChIKeyRHBNWVGJOPREBH-UHFFFAOYSA-N
MW242.32 g/mol
LogP3.32
Rot. Bonds1

About N-(4-methylphenyl)-8-azabicyclo[3.2.1]oct-2-ene-8-carboxamide

N-(4-methylphenyl)-8-azabicyclo[3.2.1]oct-2-ene-8-carboxamide (PubChem CID 90627328) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is N-(4-methylphenyl)-8-azabicyclo[3.2.1]oct-2-ene-8-carboxamide.

Molecular Properties

Compound NameN-(4-methylphenyl)-8-azabicyclo[3.2.1]oct-2-ene-8-carboxamide
PubChem CID90627328
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC NameN-(4-methylphenyl)-8-azabicyclo[3.2.1]oct-2-ene-8-carboxamide
SMILESCc1ccc(NC(=O)N2C3C=CCC2CC3)cc1
InChIInChI=1S/C15H18N2O/c1-11-5-7-12(8-6-11)16-15(18)17-13-3-2-4-14(17)10-9-13/h2-3,5-8,13-14H,4,9-10H2,1H3,(H,16,18)
InChIKeyRHBNWVGJOPREBH-UHFFFAOYSA-N
XLogP3.32
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 N-(4-methylphenyl)-8-azabicyclo[3.2.1]oct-2-ene-8-carboxamide?
The IUPAC name of N-(4-methylphenyl)-8-azabicyclo[3.2.1]oct-2-ene-8-carboxamide (CID 90627328) is N-(4-methylphenyl)-8-azabicyclo[3.2.1]oct-2-ene-8-carboxamide.
What is the SMILES notation for N-(4-methylphenyl)-8-azabicyclo[3.2.1]oct-2-ene-8-carboxamide?
The canonical SMILES for N-(4-methylphenyl)-8-azabicyclo[3.2.1]oct-2-ene-8-carboxamide is Cc1ccc(NC(=O)N2C3C=CCC2CC3)cc1.
What is the InChIKey of N-(4-methylphenyl)-8-azabicyclo[3.2.1]oct-2-ene-8-carboxamide?
The InChIKey is RHBNWVGJOPREBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c1-11-5-7-12(8-6-11)16-15(18)17-13-3-2-4-14(17)10-9-13/h2-3,5-8,13-14H,4,9-10H2,1H3,(H,16,18).
What are the key properties of N-(4-methylphenyl)-8-azabicyclo[3.2.1]oct-2-ene-8-carboxamide?
N-(4-methylphenyl)-8-azabicyclo[3.2.1]oct-2-ene-8-carboxamide has a molecular weight of 242.32 g/mol, XLogP of 3.32, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-8-azabicyclo[3.2.1]oct-2-ene-8-carboxamide is sourced from PubChem (CID 90627328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).