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

C12H16O2 — CID 115798065

IUPAC3-bicyclo[3.1.0]hexanyl(3,4-dihydro-2H-pyran-5-yl)methanone
SMILESO=C(C1=COCCC1)C1CC2CC2C1
InChIInChI=1S/C12H16O2/c13-12(8-2-1-3-14-7-8)11-5-9-4-10(9)6-11/h7,9-11H,1-6H2
InChIKeyVZSJGMJIKADAQY-UHFFFAOYSA-N
MW192.26 g/mol
LogP2.30
Rot. Bonds2

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

3-bicyclo[3.1.0]hexanyl(3,4-dihydro-2H-pyran-5-yl)methanone (PubChem CID 115798065) has the molecular formula C12H16O2 and a molecular weight of 192.26 g/mol. Its IUPAC name is 3-bicyclo[3.1.0]hexanyl(3,4-dihydro-2H-pyran-5-yl)methanone.

Molecular Properties

Compound Name3-bicyclo[3.1.0]hexanyl(3,4-dihydro-2H-pyran-5-yl)methanone
PubChem CID115798065
Molecular FormulaC12H16O2
Molecular Weight192.26 g/mol
Exact Mass192.12
IUPAC Name3-bicyclo[3.1.0]hexanyl(3,4-dihydro-2H-pyran-5-yl)methanone
SMILESO=C(C1=COCCC1)C1CC2CC2C1
InChIInChI=1S/C12H16O2/c13-12(8-2-1-3-14-7-8)11-5-9-4-10(9)6-11/h7,9-11H,1-6H2
InChIKeyVZSJGMJIKADAQY-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

(4,4-difluorocyclohexyl)-(3,4-dihydro-2H-pyran-5-yl)methanone
CID 105127389
1-[(4aS,7aR)-7-methyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-yl]ethanone
CID 59954686
cyclohexyl(3,4-dihydro-2H-pyran-5-yl)methanone
CID 104058244
cyclopropyl(3,4-dihydro-2H-pyran-5-yl)methanone
CID 104058246
cyclopentyl(3,4-dihydro-2H-pyran-5-yl)methanone
CID 104058253
3,4-dihydro-2H-pyran-5-yl-(3-methylcyclohexyl)methanone
CID 104058275
3,4-dihydro-2H-pyran-5-yl-(4-methylcyclohexyl)methanone
CID 104058276
3,4-dihydro-2H-pyran-5-yl-(4-ethylcyclohexyl)methanone
CID 104058348
3,4-dihydro-2H-pyran-5-yl-(4,4-dimethylcyclohexyl)methanone
CID 104058349
cycloheptyl(3,4-dihydro-2H-pyran-5-yl)methanone
CID 104058350
3,4-dihydro-2H-pyran-5-yl-(4-propylcyclohexyl)methanone
CID 104058351
3,4-dihydro-2H-pyran-5-yl-(4-propan-2-ylcyclohexyl)methanone
CID 104058352

Frequently Asked Questions

What is the IUPAC name of 3-bicyclo[3.1.0]hexanyl(3,4-dihydro-2H-pyran-5-yl)methanone?
The IUPAC name of 3-bicyclo[3.1.0]hexanyl(3,4-dihydro-2H-pyran-5-yl)methanone (CID 115798065) is 3-bicyclo[3.1.0]hexanyl(3,4-dihydro-2H-pyran-5-yl)methanone.
What is the SMILES notation for 3-bicyclo[3.1.0]hexanyl(3,4-dihydro-2H-pyran-5-yl)methanone?
The canonical SMILES for 3-bicyclo[3.1.0]hexanyl(3,4-dihydro-2H-pyran-5-yl)methanone is O=C(C1=COCCC1)C1CC2CC2C1.
What is the InChIKey of 3-bicyclo[3.1.0]hexanyl(3,4-dihydro-2H-pyran-5-yl)methanone?
The InChIKey is VZSJGMJIKADAQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O2/c13-12(8-2-1-3-14-7-8)11-5-9-4-10(9)6-11/h7,9-11H,1-6H2.
What are the key properties of 3-bicyclo[3.1.0]hexanyl(3,4-dihydro-2H-pyran-5-yl)methanone?
3-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 3-bicyclo[3.1.0]hexanyl(3,4-dihydro-2H-pyran-5-yl)methanone is sourced from PubChem (CID 115798065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).