cyclohex-3-en-1-yl(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)methanone

C12H17NO2 — CID 122160458

IUPACcyclohex-3-en-1-yl(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)methanone
SMILESO=C(C1CC=CCC1)N1CC2CC1CO2
InChIInChI=1S/C12H17NO2/c14-12(9-4-2-1-3-5-9)13-7-11-6-10(13)8-15-11/h1-2,9-11H,3-8H2
InChIKeyZXPDVQLVOPUUNZ-UHFFFAOYSA-N
MW207.27 g/mol
LogP1.34
Rot. Bonds1

About cyclohex-3-en-1-yl(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)methanone

cyclohex-3-en-1-yl(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)methanone (PubChem CID 122160458) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is cyclohex-3-en-1-yl(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)methanone.

Molecular Properties

Compound Namecyclohex-3-en-1-yl(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)methanone
PubChem CID122160458
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Namecyclohex-3-en-1-yl(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)methanone
SMILESO=C(C1CC=CCC1)N1CC2CC1CO2
InChIInChI=1S/C12H17NO2/c14-12(9-4-2-1-3-5-9)13-7-11-6-10(13)8-15-11/h1-2,9-11H,3-8H2
InChIKeyZXPDVQLVOPUUNZ-UHFFFAOYSA-N
XLogP1.34
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-(Oxolan-2-ylmethyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 2906596
5-(Cyclohex-3-enecarbonyl)-2-oxa-5-azabicyclo[2.2.1]heptan-3-one
CID 71790504
Cyclohex-3-en-1-yl(4-(3-methoxypyrrolidin-1-yl)piperidin-1-yl)methanone
CID 121016919
(3aS,7aR)-2-[[(2R)-oxolan-2-yl]methyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 885498
(3aS,7aS)-2-[[(2S)-oxolan-2-yl]methyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 6544851
(3aS,7aS)-2-[[(2R)-oxolan-2-yl]methyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 6952892
(3aR,7aR)-2-[[(2R)-oxolan-2-yl]methyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 7127018
(3aR,7aR)-2-[[(2S)-oxolan-2-yl]methyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 7127019
(3aS,7aR)-2-[[(2S)-oxolan-2-yl]methyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 7127020
2-Cyclopent-2-en-1-yl-1-[4-(oxolan-2-ylmethyl)piperazin-1-yl]ethanone
CID 51073414
Cyclohex-3-en-1-yl-[4-(oxolan-2-ylmethyl)piperazin-1-yl]methanone
CID 51073964
2-[(1S)-cyclopent-2-en-1-yl]-1-[(2R,5R)-2,5-dimethylmorpholin-4-yl]ethanone
CID 52217314

Frequently Asked Questions

What is the IUPAC name of cyclohex-3-en-1-yl(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)methanone?
The IUPAC name of cyclohex-3-en-1-yl(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)methanone (CID 122160458) is cyclohex-3-en-1-yl(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)methanone.
What is the SMILES notation for cyclohex-3-en-1-yl(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)methanone?
The canonical SMILES for cyclohex-3-en-1-yl(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)methanone is O=C(C1CC=CCC1)N1CC2CC1CO2.
What is the InChIKey of cyclohex-3-en-1-yl(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)methanone?
The InChIKey is ZXPDVQLVOPUUNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c14-12(9-4-2-1-3-5-9)13-7-11-6-10(13)8-15-11/h1-2,9-11H,3-8H2.
What are the key properties of cyclohex-3-en-1-yl(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)methanone?
cyclohex-3-en-1-yl(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)methanone has a molecular weight of 207.27 g/mol, XLogP of 1.34, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohex-3-en-1-yl(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)methanone is sourced from PubChem (CID 122160458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).