(5R)-5-methoxybicyclo[3.2.2]non-1(7)-ene-2,4-dione

C10H12O3 — CID 91400266

IUPAC(5R)-5-methoxybicyclo[3.2.2]non-1(7)-ene-2,4-dione
SMILESCO[C@@]12CC=C(CC1)C(=O)CC2=O
InChIInChI=1S/C10H12O3/c1-13-10-4-2-7(3-5-10)8(11)6-9(10)12/h2H,3-6H2,1H3/t10-/m0/s1
InChIKeyCFMBOJLKVWQUNP-JTQLQIEISA-N
MW180.20 g/mol
LogP1.02
Rot. Bonds1

About (5R)-5-methoxybicyclo[3.2.2]non-1(7)-ene-2,4-dione

(5R)-5-methoxybicyclo[3.2.2]non-1(7)-ene-2,4-dione (PubChem CID 91400266) has the molecular formula C10H12O3 and a molecular weight of 180.20 g/mol. Its IUPAC name is (5R)-5-methoxybicyclo[3.2.2]non-1(7)-ene-2,4-dione.

Molecular Properties

Compound Name(5R)-5-methoxybicyclo[3.2.2]non-1(7)-ene-2,4-dione
PubChem CID91400266
Molecular FormulaC10H12O3
Molecular Weight180.20 g/mol
Exact Mass180.08
IUPAC Name(5R)-5-methoxybicyclo[3.2.2]non-1(7)-ene-2,4-dione
SMILESCO[C@@]12CC=C(CC1)C(=O)CC2=O
InChIInChI=1S/C10H12O3/c1-13-10-4-2-7(3-5-10)8(11)6-9(10)12/h2H,3-6H2,1H3/t10-/m0/s1
InChIKeyCFMBOJLKVWQUNP-JTQLQIEISA-N
XLogP1.02
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.20
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

(5R)-3-chloro-5-methoxybicyclo[3.2.2]non-1(7)-ene-2,4-dione
CID 90837149
1-(Cyclohepten-1-yl)-2-methoxy-2-methylpropan-1-one
CID 106652033
1-(Cyclohexen-1-yl)-2-methoxy-2-methylpropan-1-one
CID 106652034
Cyclohepten-1-yl-(1-methoxycyclopentyl)methanone
CID 106652202
Cyclohexen-1-yl-(1-methoxycyclopentyl)methanone
CID 106652203
Cyclohepten-1-yl-(1-methoxycyclobutyl)methanone
CID 106652209
Cyclohexen-1-yl-(1-methoxycyclobutyl)methanone
CID 106652210
1-(Cycloocten-1-yl)-2-methoxy-2-methylbutan-1-one
CID 106652243
1-(Cyclohepten-1-yl)-2-methoxy-2-methylbutan-1-one
CID 106652244
1-(Cyclohexen-1-yl)-2-methoxy-2-methylbutan-1-one
CID 106652245
1-(Cyclohepten-1-yl)-2-ethoxy-2-methylbutan-1-one
CID 106652247
1-(Cyclohexen-1-yl)-2-ethoxy-2-methylbutan-1-one
CID 106652248

Frequently Asked Questions

What is the IUPAC name of (5R)-5-methoxybicyclo[3.2.2]non-1(7)-ene-2,4-dione?
The IUPAC name of (5R)-5-methoxybicyclo[3.2.2]non-1(7)-ene-2,4-dione (CID 91400266) is (5R)-5-methoxybicyclo[3.2.2]non-1(7)-ene-2,4-dione.
What is the SMILES notation for (5R)-5-methoxybicyclo[3.2.2]non-1(7)-ene-2,4-dione?
The canonical SMILES for (5R)-5-methoxybicyclo[3.2.2]non-1(7)-ene-2,4-dione is CO[C@@]12CC=C(CC1)C(=O)CC2=O.
What is the InChIKey of (5R)-5-methoxybicyclo[3.2.2]non-1(7)-ene-2,4-dione?
The InChIKey is CFMBOJLKVWQUNP-JTQLQIEISA-N. The full InChI is InChI=1S/C10H12O3/c1-13-10-4-2-7(3-5-10)8(11)6-9(10)12/h2H,3-6H2,1H3/t10-/m0/s1.
What are the key properties of (5R)-5-methoxybicyclo[3.2.2]non-1(7)-ene-2,4-dione?
(5R)-5-methoxybicyclo[3.2.2]non-1(7)-ene-2,4-dione has a molecular weight of 180.20 g/mol, XLogP of 1.02, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-methoxybicyclo[3.2.2]non-1(7)-ene-2,4-dione is sourced from PubChem (CID 91400266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).