(1R,5R)-bicyclo[3.2.2]non-6-en-2-one

C9H12O — CID 131021178

IUPAC(1R,5R)-bicyclo[3.2.2]non-6-en-2-one
SMILESO=C1CC[C@@H]2C=C[C@H]1CC2
InChIInChI=1S/C9H12O/c10-9-6-3-7-1-4-8(9)5-2-7/h1,4,7-8H,2-3,5-6H2/t7-,8+/m1/s1
InChIKeyXIVIWCKRCPWTEL-SFYZADRCSA-N
MW136.19 g/mol
LogP1.93
Rot. Bonds

About (1R,5R)-bicyclo[3.2.2]non-6-en-2-one

(1R,5R)-bicyclo[3.2.2]non-6-en-2-one (PubChem CID 131021178) has the molecular formula C9H12O and a molecular weight of 136.19 g/mol. Its IUPAC name is (1R,5R)-bicyclo[3.2.2]non-6-en-2-one.

Molecular Properties

Compound Name(1R,5R)-bicyclo[3.2.2]non-6-en-2-one
PubChem CID131021178
Molecular FormulaC9H12O
Molecular Weight136.19 g/mol
Exact Mass136.09
IUPAC Name(1R,5R)-bicyclo[3.2.2]non-6-en-2-one
SMILESO=C1CC[C@@H]2C=C[C@H]1CC2
InChIInChI=1S/C9H12O/c10-9-6-3-7-1-4-8(9)5-2-7/h1,4,7-8H,2-3,5-6H2/t7-,8+/m1/s1
InChIKeyXIVIWCKRCPWTEL-SFYZADRCSA-N
XLogP1.93
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.19
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

bicyclo[2.2.2]oct-2-ene
CID 13608
(1R,4R)-bicyclo[2.2.1]hept-2-en-7-one
CID 50919073
(4S)-bicyclo[2.2.1]hept-5-en-2-one
CID 139246523
(1R,2R,9R)-tricyclo[7.2.1.02,6]dodec-10-en-3-one
CID 91249500
bicyclo[2.2.1]hept-5-en-2-one;ethene
CID 67271465
bicyclo[5.2.2]undec-8-ene
CID 71397836
(1S,5R)-bicyclo[3.2.2]nona-3,6-dien-2-one
CID 11446357
pentacyclo[9.2.2.13,9.02,10.04,8]hexadeca-2(10),12-diene-5,7-dione
CID 90482695
(1R,4S)-bicyclo[2.2.2]octa-2,5-diene-2,3-dicarbaldehyde
CID 10702135
(1R,4S)-bicyclo[2.2.1]hept-2-ene
CID 638051
(1R,4R)-5,6-dimethylidenebicyclo[2.2.2]oct-2-ene
CID 124556656
(1S,8S)-tricyclo[6.2.1.02,6]undeca-2(6),9-dien-3-one
CID 131041323

Frequently Asked Questions

What is the IUPAC name of (1R,5R)-bicyclo[3.2.2]non-6-en-2-one?
The IUPAC name of (1R,5R)-bicyclo[3.2.2]non-6-en-2-one (CID 131021178) is (1R,5R)-bicyclo[3.2.2]non-6-en-2-one.
What is the SMILES notation for (1R,5R)-bicyclo[3.2.2]non-6-en-2-one?
The canonical SMILES for (1R,5R)-bicyclo[3.2.2]non-6-en-2-one is O=C1CC[C@@H]2C=C[C@H]1CC2.
What is the InChIKey of (1R,5R)-bicyclo[3.2.2]non-6-en-2-one?
The InChIKey is XIVIWCKRCPWTEL-SFYZADRCSA-N. The full InChI is InChI=1S/C9H12O/c10-9-6-3-7-1-4-8(9)5-2-7/h1,4,7-8H,2-3,5-6H2/t7-,8+/m1/s1.
What are the key properties of (1R,5R)-bicyclo[3.2.2]non-6-en-2-one?
(1R,5R)-bicyclo[3.2.2]non-6-en-2-one has a molecular weight of 136.19 g/mol, XLogP of 1.93, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5R)-bicyclo[3.2.2]non-6-en-2-one is sourced from PubChem (CID 131021178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).