(5R)-3-chloro-5-methoxybicyclo[3.2.2]non-1(7)-ene-2,4-dione

C10H11ClO3 — CID 90837149

IUPAC(5R)-3-chloro-5-methoxybicyclo[3.2.2]non-1(7)-ene-2,4-dione
SMILESCO[C@@]12CC=C(CC1)C(=O)C(Cl)C2=O
InChIInChI=1S/C10H11ClO3/c1-14-10-4-2-6(3-5-10)8(12)7(11)9(10)13/h2,7H,3-5H2,1H3/t7?,10-/m0/s1
InChIKeyVITQIYOMXNISAB-MHPPCMCBSA-N
MW214.65 g/mol
LogP1.24
Rot. Bonds1

About (5R)-3-chloro-5-methoxybicyclo[3.2.2]non-1(7)-ene-2,4-dione

(5R)-3-chloro-5-methoxybicyclo[3.2.2]non-1(7)-ene-2,4-dione (PubChem CID 90837149) has the molecular formula C10H11ClO3 and a molecular weight of 214.65 g/mol. Its IUPAC name is (5R)-3-chloro-5-methoxybicyclo[3.2.2]non-1(7)-ene-2,4-dione.

Molecular Properties

Compound Name(5R)-3-chloro-5-methoxybicyclo[3.2.2]non-1(7)-ene-2,4-dione
PubChem CID90837149
Molecular FormulaC10H11ClO3
Molecular Weight214.65 g/mol
Exact Mass214.04
IUPAC Name(5R)-3-chloro-5-methoxybicyclo[3.2.2]non-1(7)-ene-2,4-dione
SMILESCO[C@@]12CC=C(CC1)C(=O)C(Cl)C2=O
InChIInChI=1S/C10H11ClO3/c1-14-10-4-2-6(3-5-10)8(12)7(11)9(10)13/h2,7H,3-5H2,1H3/t7?,10-/m0/s1
InChIKeyVITQIYOMXNISAB-MHPPCMCBSA-N
XLogP1.24
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.65
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-Chloro-1-methoxybicyclo[3.2.2]non-6-en-2,4-dione
CID 68487691
(5R)-5-methoxybicyclo[3.2.2]non-1(7)-ene-2,4-dione
CID 91400266

Frequently Asked Questions

What is the IUPAC name of (5R)-3-chloro-5-methoxybicyclo[3.2.2]non-1(7)-ene-2,4-dione?
The IUPAC name of (5R)-3-chloro-5-methoxybicyclo[3.2.2]non-1(7)-ene-2,4-dione (CID 90837149) is (5R)-3-chloro-5-methoxybicyclo[3.2.2]non-1(7)-ene-2,4-dione.
What is the SMILES notation for (5R)-3-chloro-5-methoxybicyclo[3.2.2]non-1(7)-ene-2,4-dione?
The canonical SMILES for (5R)-3-chloro-5-methoxybicyclo[3.2.2]non-1(7)-ene-2,4-dione is CO[C@@]12CC=C(CC1)C(=O)C(Cl)C2=O.
What is the InChIKey of (5R)-3-chloro-5-methoxybicyclo[3.2.2]non-1(7)-ene-2,4-dione?
The InChIKey is VITQIYOMXNISAB-MHPPCMCBSA-N. The full InChI is InChI=1S/C10H11ClO3/c1-14-10-4-2-6(3-5-10)8(12)7(11)9(10)13/h2,7H,3-5H2,1H3/t7?,10-/m0/s1.
What are the key properties of (5R)-3-chloro-5-methoxybicyclo[3.2.2]non-1(7)-ene-2,4-dione?
(5R)-3-chloro-5-methoxybicyclo[3.2.2]non-1(7)-ene-2,4-dione has a molecular weight of 214.65 g/mol, XLogP of 1.24, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-chloro-5-methoxybicyclo[3.2.2]non-1(7)-ene-2,4-dione is sourced from PubChem (CID 90837149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).