3-(oxomethylidene)bicyclo[3.2.1]octan-2-one

C9H10O2 — CID 91554267

IUPAC3-(oxomethylidene)bicyclo[3.2.1]octan-2-one
SMILESO=C=C1CC2CCC(C2)C1=O
InChIInChI=1S/C9H10O2/c10-5-8-4-6-1-2-7(3-6)9(8)11/h6-7H,1-4H2
InChIKeyBAZVRXFUKJATOL-UHFFFAOYSA-N
MW150.18 g/mol
LogP1.13
Rot. Bonds

About 3-(oxomethylidene)bicyclo[3.2.1]octan-2-one

3-(oxomethylidene)bicyclo[3.2.1]octan-2-one (PubChem CID 91554267) has the molecular formula C9H10O2 and a molecular weight of 150.18 g/mol. Its IUPAC name is 3-(oxomethylidene)bicyclo[3.2.1]octan-2-one.

Molecular Properties

Compound Name3-(oxomethylidene)bicyclo[3.2.1]octan-2-one
PubChem CID91554267
Molecular FormulaC9H10O2
Molecular Weight150.18 g/mol
Exact Mass150.07
IUPAC Name3-(oxomethylidene)bicyclo[3.2.1]octan-2-one
SMILESO=C=C1CC2CCC(C2)C1=O
InChIInChI=1S/C9H10O2/c10-5-8-4-6-1-2-7(3-6)9(8)11/h6-7H,1-4H2
InChIKeyBAZVRXFUKJATOL-UHFFFAOYSA-N
XLogP1.13
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.18
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ketene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

tricyclo[8.2.1.14,7]tetradecane-5,6,11,12-tetrone
CID 139469180
(1S,4R)-bicyclo[2.2.1]heptane-2,3-dione
CID 68535573
2-ethenylidenebicyclo[2.2.1]heptane
CID 21311745
3-hydroxybicyclo[3.2.1]octan-2-one
CID 130037946
tricyclo[9.2.1.14,7]pentadecane-5,6,12,13-tetrone
CID 155116648
(1R,5S)-3-azabicyclo[3.2.1]octan-2-one
CID 14813870
2-[(1S,4R)-2-bicyclo[2.2.1]heptanylidene]propanedinitrile
CID 11062657
(1S,4R)-2-propan-2-ylidenebicyclo[2.2.1]heptane
CID 96842588
2-propan-2-ylidenebicyclo[2.2.1]heptane
CID 12648921
bicyclo[2.2.2]octan-2-one;ethane
CID 91487453
tricyclo[6.2.1.02,6]undec-2(6)-ene
CID 12898252
2-(2,2,2-trifluoroethylidene)bicyclo[2.2.1]heptane
CID 175890138

Frequently Asked Questions

What is the IUPAC name of 3-(oxomethylidene)bicyclo[3.2.1]octan-2-one?
The IUPAC name of 3-(oxomethylidene)bicyclo[3.2.1]octan-2-one (CID 91554267) is 3-(oxomethylidene)bicyclo[3.2.1]octan-2-one.
What is the SMILES notation for 3-(oxomethylidene)bicyclo[3.2.1]octan-2-one?
The canonical SMILES for 3-(oxomethylidene)bicyclo[3.2.1]octan-2-one is O=C=C1CC2CCC(C2)C1=O.
What is the InChIKey of 3-(oxomethylidene)bicyclo[3.2.1]octan-2-one?
The InChIKey is BAZVRXFUKJATOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O2/c10-5-8-4-6-1-2-7(3-6)9(8)11/h6-7H,1-4H2.
What are the key properties of 3-(oxomethylidene)bicyclo[3.2.1]octan-2-one?
3-(oxomethylidene)bicyclo[3.2.1]octan-2-one has a molecular weight of 150.18 g/mol, XLogP of 1.13, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxomethylidene)bicyclo[3.2.1]octan-2-one is sourced from PubChem (CID 91554267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).