cyclohexen-1-yl-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanone

C15H23NO — CID 106652181

IUPACcyclohexen-1-yl-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanone
SMILESCN1C2CCC1CC(C(=O)C1=CCCCC1)C2
InChIInChI=1S/C15H23NO/c1-16-13-7-8-14(16)10-12(9-13)15(17)11-5-3-2-4-6-11/h5,12-14H,2-4,6-10H2,1H3
InChIKeyMOHQWNIJLUZGJO-UHFFFAOYSA-N
MW233.35 g/mol
LogP2.93
Rot. Bonds2

About cyclohexen-1-yl-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanone

cyclohexen-1-yl-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanone (PubChem CID 106652181) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is cyclohexen-1-yl-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanone.

Molecular Properties

Compound Namecyclohexen-1-yl-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanone
PubChem CID106652181
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC Namecyclohexen-1-yl-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanone
SMILESCN1C2CCC1CC(C(=O)C1=CCCCC1)C2
InChIInChI=1S/C15H23NO/c1-16-13-7-8-14(16)10-12(9-13)15(17)11-5-3-2-4-6-11/h5,12-14H,2-4,6-10H2,1H3
InChIKeyMOHQWNIJLUZGJO-UHFFFAOYSA-N
XLogP2.93
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(6E)-2-methyl-6-[[(2S)-1-methylpyrrolidin-2-yl]methylidene]cyclohexan-1-one
CID 10465625
(2E)-2-[[(2S)-1,1-dimethylpyrrolidin-1-ium-2-yl]methylidene]-6-methylcyclohexan-1-one
CID 11775744
(2Z)-2-[[(2S)-1,1-dimethylpyrrolidin-1-ium-2-yl]methylidene]-6-methylcyclohexan-1-one
CID 44350318
(6Z)-2-methyl-6-[[(2S)-1-methylpyrrolidin-2-yl]methylidene]cyclohexan-1-one
CID 44350168
(1S,2S)-8-methyl-2-prop-2-enyl-8-azabicyclo[3.2.1]octan-3-one
CID 134966008
1-(8-Methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-(trifluoromethyl)prop-2-en-1-one
CID 171938064
(1S,5R)-8-methyl-2-prop-2-enyl-8-azabicyclo[3.2.1]octan-3-one
CID 102234243
3-(1-Propyl-piperidin-3-yl)-cyclohex-2-enone
CID 9964524
1-(6-Methyl-6-azabicyclo[3.2.2]non-3-en-4-yl)propan-1-one
CID 12036865
2-Propionyl-(6-methyl-6-azabicylo[3.2.2]non-2-ene)
CID 12036867
3-cyclopentyl-1-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)propan-1-one
CID 21757418
1-[(2S)-2,6-dimethyl-6-azabicyclo[3.2.2]non-3-en-4-yl]propan-1-one
CID 67023559

Frequently Asked Questions

What is the IUPAC name of cyclohexen-1-yl-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanone?
The IUPAC name of cyclohexen-1-yl-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanone (CID 106652181) is cyclohexen-1-yl-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanone.
What is the SMILES notation for cyclohexen-1-yl-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanone?
The canonical SMILES for cyclohexen-1-yl-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanone is CN1C2CCC1CC(C(=O)C1=CCCCC1)C2.
What is the InChIKey of cyclohexen-1-yl-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanone?
The InChIKey is MOHQWNIJLUZGJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-16-13-7-8-14(16)10-12(9-13)15(17)11-5-3-2-4-6-11/h5,12-14H,2-4,6-10H2,1H3.
What are the key properties of cyclohexen-1-yl-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanone?
cyclohexen-1-yl-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanone has a molecular weight of 233.35 g/mol, XLogP of 2.93, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexen-1-yl-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanone is sourced from PubChem (CID 106652181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).