6-bicyclo[3.1.0]hexanyl(3,4-dihydro-2H-pyran-5-yl)methanone

C12H16O2 — CID 115798253

IUPAC6-bicyclo[3.1.0]hexanyl(3,4-dihydro-2H-pyran-5-yl)methanone
SMILESO=C(C1=COCCC1)C1C2CCCC21
InChIInChI=1S/C12H16O2/c13-12(8-3-2-6-14-7-8)11-9-4-1-5-10(9)11/h7,9-11H,1-6H2
InChIKeySNDIOVDKCDBBEM-UHFFFAOYSA-N
MW192.26 g/mol
LogP2.30
Rot. Bonds2

About 6-bicyclo[3.1.0]hexanyl(3,4-dihydro-2H-pyran-5-yl)methanone

6-bicyclo[3.1.0]hexanyl(3,4-dihydro-2H-pyran-5-yl)methanone (PubChem CID 115798253) has the molecular formula C12H16O2 and a molecular weight of 192.26 g/mol. Its IUPAC name is 6-bicyclo[3.1.0]hexanyl(3,4-dihydro-2H-pyran-5-yl)methanone.

Molecular Properties

Compound Name6-bicyclo[3.1.0]hexanyl(3,4-dihydro-2H-pyran-5-yl)methanone
PubChem CID115798253
Molecular FormulaC12H16O2
Molecular Weight192.26 g/mol
Exact Mass192.12
IUPAC Name6-bicyclo[3.1.0]hexanyl(3,4-dihydro-2H-pyran-5-yl)methanone
SMILESO=C(C1=COCCC1)C1C2CCCC21
InChIInChI=1S/C12H16O2/c13-12(8-3-2-6-14-7-8)11-9-4-1-5-10(9)11/h7,9-11H,1-6H2
InChIKeySNDIOVDKCDBBEM-UHFFFAOYSA-N
XLogP2.30
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3,4-dihydro-2H-pyran-5-yl)cyclohexanone
CID 12461795
2-Cyclohexyl-3,5-dimethyl-2,3-dihydropyran-4-one
CID 14090573
3,4-dihydro-2H-pyran-5-yl-[3-(trifluoromethyl)cyclohexyl]methanone
CID 105127365
(4,4-difluorocyclohexyl)-(3,4-dihydro-2H-pyran-5-yl)methanone
CID 105127389
3,4-dihydro-2H-pyran-5-yl-[4-(trifluoromethyl)cyclohexyl]methanone
CID 105127417
4,4a,5,6-tetrahydro-3H-cyclopenta[c]pyran-7-one
CID 54549475
(2S,3R)-2-cyclohexyl-3,5-dimethyl-2,3-dihydropyran-4-one
CID 14090574
2-(3,4-dihydro-2H-pyran-5-yl)cyclohexan-1-one
CID 14910840
1-[(4aS,7aR)-7-methyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-yl]ethanone
CID 59954686
2-Cyclohexyl-5-methyl-2,3-dihydropyran-4-one
CID 86228817
2-cyclobutyl-1-(3,4-dihydro-2H-pyran-5-yl)ethanone
CID 103168064
cyclohexyl(3,4-dihydro-2H-pyran-5-yl)methanone
CID 104058244

Frequently Asked Questions

What is the IUPAC name of 6-bicyclo[3.1.0]hexanyl(3,4-dihydro-2H-pyran-5-yl)methanone?
The IUPAC name of 6-bicyclo[3.1.0]hexanyl(3,4-dihydro-2H-pyran-5-yl)methanone (CID 115798253) is 6-bicyclo[3.1.0]hexanyl(3,4-dihydro-2H-pyran-5-yl)methanone.
What is the SMILES notation for 6-bicyclo[3.1.0]hexanyl(3,4-dihydro-2H-pyran-5-yl)methanone?
The canonical SMILES for 6-bicyclo[3.1.0]hexanyl(3,4-dihydro-2H-pyran-5-yl)methanone is O=C(C1=COCCC1)C1C2CCCC21.
What is the InChIKey of 6-bicyclo[3.1.0]hexanyl(3,4-dihydro-2H-pyran-5-yl)methanone?
The InChIKey is SNDIOVDKCDBBEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O2/c13-12(8-3-2-6-14-7-8)11-9-4-1-5-10(9)11/h7,9-11H,1-6H2.
What are the key properties of 6-bicyclo[3.1.0]hexanyl(3,4-dihydro-2H-pyran-5-yl)methanone?
6-bicyclo[3.1.0]hexanyl(3,4-dihydro-2H-pyran-5-yl)methanone has a molecular weight of 192.26 g/mol, XLogP of 2.30, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bicyclo[3.1.0]hexanyl(3,4-dihydro-2H-pyran-5-yl)methanone is sourced from PubChem (CID 115798253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).