7-methylidenebicyclo[3.2.1]octane-3,6-dione

C9H10O2 — CID 176564530

IUPAC7-methylidenebicyclo[3.2.1]octane-3,6-dione
SMILESC=C1C(=O)C2CC(=O)CC1C2
InChIInChI=1S/C9H10O2/c1-5-6-2-7(9(5)11)4-8(10)3-6/h6-7H,1-4H2
InChIKeyJANGBSBSZWUGAZ-UHFFFAOYSA-N
MW150.18 g/mol
LogP1.11
Rot. Bonds

About 7-methylidenebicyclo[3.2.1]octane-3,6-dione

7-methylidenebicyclo[3.2.1]octane-3,6-dione (PubChem CID 176564530) has the molecular formula C9H10O2 and a molecular weight of 150.18 g/mol. Its IUPAC name is 7-methylidenebicyclo[3.2.1]octane-3,6-dione.

Molecular Properties

Compound Name7-methylidenebicyclo[3.2.1]octane-3,6-dione
PubChem CID176564530
Molecular FormulaC9H10O2
Molecular Weight150.18 g/mol
Exact Mass150.07
IUPAC Name7-methylidenebicyclo[3.2.1]octane-3,6-dione
SMILESC=C1C(=O)C2CC(=O)CC1C2
InChIInChI=1S/C9H10O2/c1-5-6-2-7(9(5)11)4-8(10)3-6/h6-7H,1-4H2
InChIKeyJANGBSBSZWUGAZ-UHFFFAOYSA-N
XLogP1.11
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 ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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
bicyclo[1.1.1]pentan-2-one
CID 13356641
tricyclo[6.2.1.02,7]undec-2(7)-ene-3,6-dione
CID 13070254
tricyclo[9.2.1.14,7]pentadecane-5,6,12,13-tetrone
CID 155116648
(1S,4S)-2,3-dimethylidenebicyclo[2.2.1]heptane
CID 50919081
4-ethenylbicyclo[3.3.1]nonane-2,7-dione
CID 543765
(3aR)-1,3,3a,4,5,6,7,7a-octahydroinden-2-one
CID 139265840
cis-(3S,5R)-3,5-dihydroxycyclohexan-1-one
CID 124561770
bicyclo[2.2.2]octane-2,3,5,8-tetrone
CID 70559708
tricyclo[5.2.1.02,6]decan-4-one
CID 549023
2,6-dimethylpiperidin-4-one
CID 11040712

Frequently Asked Questions

What is the IUPAC name of 7-methylidenebicyclo[3.2.1]octane-3,6-dione?
The IUPAC name of 7-methylidenebicyclo[3.2.1]octane-3,6-dione (CID 176564530) is 7-methylidenebicyclo[3.2.1]octane-3,6-dione.
What is the SMILES notation for 7-methylidenebicyclo[3.2.1]octane-3,6-dione?
The canonical SMILES for 7-methylidenebicyclo[3.2.1]octane-3,6-dione is C=C1C(=O)C2CC(=O)CC1C2.
What is the InChIKey of 7-methylidenebicyclo[3.2.1]octane-3,6-dione?
The InChIKey is JANGBSBSZWUGAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O2/c1-5-6-2-7(9(5)11)4-8(10)3-6/h6-7H,1-4H2.
What are the key properties of 7-methylidenebicyclo[3.2.1]octane-3,6-dione?
7-methylidenebicyclo[3.2.1]octane-3,6-dione has a molecular weight of 150.18 g/mol, XLogP of 1.11, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methylidenebicyclo[3.2.1]octane-3,6-dione is sourced from PubChem (CID 176564530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).