(8S)-bicyclo[6.1.0]nonan-2-one

C9H14O — CID 90487048

IUPAC(8S)-bicyclo[6.1.0]nonan-2-one
SMILESO=C1CCCCC[C@H]2CC12
InChIInChI=1S/C9H14O/c10-9-5-3-1-2-4-7-6-8(7)9/h7-8H,1-6H2/t7-,8?/m0/s1
InChIKeyILBLIHIMMWSJSC-JAMMHHFISA-N
MW138.21 g/mol
LogP2.16
Rot. Bonds

About (8S)-bicyclo[6.1.0]nonan-2-one

(8S)-bicyclo[6.1.0]nonan-2-one (PubChem CID 90487048) has the molecular formula C9H14O and a molecular weight of 138.21 g/mol. Its IUPAC name is (8S)-bicyclo[6.1.0]nonan-2-one.

Molecular Properties

Compound Name(8S)-bicyclo[6.1.0]nonan-2-one
PubChem CID90487048
Molecular FormulaC9H14O
Molecular Weight138.21 g/mol
Exact Mass138.10
IUPAC Name(8S)-bicyclo[6.1.0]nonan-2-one
SMILESO=C1CCCCC[C@H]2CC12
InChIInChI=1S/C9H14O/c10-9-5-3-1-2-4-7-6-8(7)9/h7-8H,1-6H2/t7-,8?/m0/s1
InChIKeyILBLIHIMMWSJSC-JAMMHHFISA-N
XLogP2.16
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

bicyclo[13.1.0]hexadecan-2-one
CID 543951
(1S,6R)-bicyclo[4.1.0]heptan-2-one
CID 10920468
1,2,3a,4,4a,5,6,7,8,8a,9,9a-dodecahydrocyclopenta[b]naphthalen-3-one
CID 58165389
(3aR,10aS)-2,3,3a,5,6,7,8,9,10,10a-decahydro-1H-cyclopenta[9]annulen-4-one
CID 102063189
(3aR,8aR)-2,3,3a,5,6,7,8,8a-octahydroazulene-1,4-dione
CID 12696314
1,2,3a,4,4a,5,6,7,8,8a,9,9a-dodecahydrocyclopenta[b]naphthalen-3-one;tetracyclo[6.5.1.02,7.09,13]tetradecan-11-one
CID 158557679
3-(2-oxocyclohexyl)cyclohexane-1,2-dione
CID 11041975
(4aR,8aS)-2,3,4a,5,6,7,8,8a-octahydronaphthalene-1,4-dione
CID 13235573
(4aR,8aR)-2,3,4a,5,6,7,8,8a-octahydronaphthalene-1,4-dione
CID 13235574
2-methyl-2,3a,5,6,7,8,9,9a-octahydro-1H-cyclopenta[8]annulene-3,4-dione
CID 15499466
(1R,8R)-7-hydroxybicyclo[6.1.0]nonan-2-one
CID 102217241
(1R,4R,8S)-4-methylbicyclo[6.1.0]nonan-2-one
CID 10654411

Frequently Asked Questions

What is the IUPAC name of (8S)-bicyclo[6.1.0]nonan-2-one?
The IUPAC name of (8S)-bicyclo[6.1.0]nonan-2-one (CID 90487048) is (8S)-bicyclo[6.1.0]nonan-2-one.
What is the SMILES notation for (8S)-bicyclo[6.1.0]nonan-2-one?
The canonical SMILES for (8S)-bicyclo[6.1.0]nonan-2-one is O=C1CCCCC[C@H]2CC12.
What is the InChIKey of (8S)-bicyclo[6.1.0]nonan-2-one?
The InChIKey is ILBLIHIMMWSJSC-JAMMHHFISA-N. The full InChI is InChI=1S/C9H14O/c10-9-5-3-1-2-4-7-6-8(7)9/h7-8H,1-6H2/t7-,8?/m0/s1.
What are the key properties of (8S)-bicyclo[6.1.0]nonan-2-one?
(8S)-bicyclo[6.1.0]nonan-2-one has a molecular weight of 138.21 g/mol, XLogP of 2.16, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (8S)-bicyclo[6.1.0]nonan-2-one is sourced from PubChem (CID 90487048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).