2-azabicyclo[2.2.1]heptan-2-yl-(3-methylcyclohexyl)methanone

C14H23NO — CID 71929862

IUPAC2-azabicyclo[2.2.1]heptan-2-yl-(3-methylcyclohexyl)methanone
SMILESCC1CCCC(C(=O)N2CC3CCC2C3)C1
InChIInChI=1S/C14H23NO/c1-10-3-2-4-12(7-10)14(16)15-9-11-5-6-13(15)8-11/h10-13H,2-9H2,1H3
InChIKeyKDUUFGPDRQLGHN-UHFFFAOYSA-N
MW221.34 g/mol
LogP2.82
Rot. Bonds1

About 2-azabicyclo[2.2.1]heptan-2-yl-(3-methylcyclohexyl)methanone

2-azabicyclo[2.2.1]heptan-2-yl-(3-methylcyclohexyl)methanone (PubChem CID 71929862) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 2-azabicyclo[2.2.1]heptan-2-yl-(3-methylcyclohexyl)methanone.

Molecular Properties

Compound Name2-azabicyclo[2.2.1]heptan-2-yl-(3-methylcyclohexyl)methanone
PubChem CID71929862
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name2-azabicyclo[2.2.1]heptan-2-yl-(3-methylcyclohexyl)methanone
SMILESCC1CCCC(C(=O)N2CC3CCC2C3)C1
InChIInChI=1S/C14H23NO/c1-10-3-2-4-12(7-10)14(16)15-9-11-5-6-13(15)8-11/h10-13H,2-9H2,1H3
InChIKeyKDUUFGPDRQLGHN-UHFFFAOYSA-N
XLogP2.82
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-azabicyclo[2.2.1]heptan-2-yl-(3-methylcyclohexyl)methanone?
The IUPAC name of 2-azabicyclo[2.2.1]heptan-2-yl-(3-methylcyclohexyl)methanone (CID 71929862) is 2-azabicyclo[2.2.1]heptan-2-yl-(3-methylcyclohexyl)methanone.
What is the SMILES notation for 2-azabicyclo[2.2.1]heptan-2-yl-(3-methylcyclohexyl)methanone?
The canonical SMILES for 2-azabicyclo[2.2.1]heptan-2-yl-(3-methylcyclohexyl)methanone is CC1CCCC(C(=O)N2CC3CCC2C3)C1.
What is the InChIKey of 2-azabicyclo[2.2.1]heptan-2-yl-(3-methylcyclohexyl)methanone?
The InChIKey is KDUUFGPDRQLGHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-10-3-2-4-12(7-10)14(16)15-9-11-5-6-13(15)8-11/h10-13H,2-9H2,1H3.
What are the key properties of 2-azabicyclo[2.2.1]heptan-2-yl-(3-methylcyclohexyl)methanone?
2-azabicyclo[2.2.1]heptan-2-yl-(3-methylcyclohexyl)methanone has a molecular weight of 221.34 g/mol, XLogP of 2.82, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azabicyclo[2.2.1]heptan-2-yl-(3-methylcyclohexyl)methanone is sourced from PubChem (CID 71929862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).