7-azabicyclo[2.2.1]heptan-2-yl(cyclohexen-1-yl)methanone

C13H19NO — CID 106655380

IUPAC7-azabicyclo[2.2.1]heptan-2-yl(cyclohexen-1-yl)methanone
SMILESO=C(C1=CCCCC1)C1CC2CCC1N2
InChIInChI=1S/C13H19NO/c15-13(9-4-2-1-3-5-9)11-8-10-6-7-12(11)14-10/h4,10-12,14H,1-3,5-8H2
InChIKeyMGSNDTWMOJVNMZ-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.20
Rot. Bonds2

About 7-azabicyclo[2.2.1]heptan-2-yl(cyclohexen-1-yl)methanone

7-azabicyclo[2.2.1]heptan-2-yl(cyclohexen-1-yl)methanone (PubChem CID 106655380) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 7-azabicyclo[2.2.1]heptan-2-yl(cyclohexen-1-yl)methanone.

Molecular Properties

Compound Name7-azabicyclo[2.2.1]heptan-2-yl(cyclohexen-1-yl)methanone
PubChem CID106655380
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name7-azabicyclo[2.2.1]heptan-2-yl(cyclohexen-1-yl)methanone
SMILESO=C(C1=CCCCC1)C1CC2CCC1N2
InChIInChI=1S/C13H19NO/c15-13(9-4-2-1-3-5-9)11-8-10-6-7-12(11)14-10/h4,10-12,14H,1-3,5-8H2
InChIKeyMGSNDTWMOJVNMZ-UHFFFAOYSA-N
XLogP2.20
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-azabicyclo[2.2.1]heptan-2-yl(cyclohexen-1-yl)methanone?
The IUPAC name of 7-azabicyclo[2.2.1]heptan-2-yl(cyclohexen-1-yl)methanone (CID 106655380) is 7-azabicyclo[2.2.1]heptan-2-yl(cyclohexen-1-yl)methanone.
What is the SMILES notation for 7-azabicyclo[2.2.1]heptan-2-yl(cyclohexen-1-yl)methanone?
The canonical SMILES for 7-azabicyclo[2.2.1]heptan-2-yl(cyclohexen-1-yl)methanone is O=C(C1=CCCCC1)C1CC2CCC1N2.
What is the InChIKey of 7-azabicyclo[2.2.1]heptan-2-yl(cyclohexen-1-yl)methanone?
The InChIKey is MGSNDTWMOJVNMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c15-13(9-4-2-1-3-5-9)11-8-10-6-7-12(11)14-10/h4,10-12,14H,1-3,5-8H2.
What are the key properties of 7-azabicyclo[2.2.1]heptan-2-yl(cyclohexen-1-yl)methanone?
7-azabicyclo[2.2.1]heptan-2-yl(cyclohexen-1-yl)methanone has a molecular weight of 205.30 g/mol, XLogP of 2.20, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-azabicyclo[2.2.1]heptan-2-yl(cyclohexen-1-yl)methanone is sourced from PubChem (CID 106655380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).