8-(cyclohex-3-en-1-ylmethyl)-8-azabicyclo[3.2.1]octan-3-one

C14H21NO — CID 62739630

IUPAC8-(cyclohex-3-en-1-ylmethyl)-8-azabicyclo[3.2.1]octan-3-one
SMILESO=C1CC2CCC(C1)N2CC1CC=CCC1
InChIInChI=1S/C14H21NO/c16-14-8-12-6-7-13(9-14)15(12)10-11-4-2-1-3-5-11/h1-2,11-13H,3-10H2
InChIKeyDBFBOSJRSFZEJW-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.54
Rot. Bonds2

About 8-(cyclohex-3-en-1-ylmethyl)-8-azabicyclo[3.2.1]octan-3-one

8-(cyclohex-3-en-1-ylmethyl)-8-azabicyclo[3.2.1]octan-3-one (PubChem CID 62739630) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 8-(cyclohex-3-en-1-ylmethyl)-8-azabicyclo[3.2.1]octan-3-one.

Molecular Properties

Compound Name8-(cyclohex-3-en-1-ylmethyl)-8-azabicyclo[3.2.1]octan-3-one
PubChem CID62739630
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name8-(cyclohex-3-en-1-ylmethyl)-8-azabicyclo[3.2.1]octan-3-one
SMILESO=C1CC2CCC(C1)N2CC1CC=CCC1
InChIInChI=1S/C14H21NO/c16-14-8-12-6-7-13(9-14)15(12)10-11-4-2-1-3-5-11/h1-2,11-13H,3-10H2
InChIKeyDBFBOSJRSFZEJW-UHFFFAOYSA-N
XLogP2.54
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 8-(cyclohex-3-en-1-ylmethyl)-8-azabicyclo[3.2.1]octan-3-one?
The IUPAC name of 8-(cyclohex-3-en-1-ylmethyl)-8-azabicyclo[3.2.1]octan-3-one (CID 62739630) is 8-(cyclohex-3-en-1-ylmethyl)-8-azabicyclo[3.2.1]octan-3-one.
What is the SMILES notation for 8-(cyclohex-3-en-1-ylmethyl)-8-azabicyclo[3.2.1]octan-3-one?
The canonical SMILES for 8-(cyclohex-3-en-1-ylmethyl)-8-azabicyclo[3.2.1]octan-3-one is O=C1CC2CCC(C1)N2CC1CC=CCC1.
What is the InChIKey of 8-(cyclohex-3-en-1-ylmethyl)-8-azabicyclo[3.2.1]octan-3-one?
The InChIKey is DBFBOSJRSFZEJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c16-14-8-12-6-7-13(9-14)15(12)10-11-4-2-1-3-5-11/h1-2,11-13H,3-10H2.
What are the key properties of 8-(cyclohex-3-en-1-ylmethyl)-8-azabicyclo[3.2.1]octan-3-one?
8-(cyclohex-3-en-1-ylmethyl)-8-azabicyclo[3.2.1]octan-3-one has a molecular weight of 219.33 g/mol, XLogP of 2.54, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(cyclohex-3-en-1-ylmethyl)-8-azabicyclo[3.2.1]octan-3-one is sourced from PubChem (CID 62739630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).