cis-(1S,2R)-3-oxo-2-prop-2-enoxycarbonylcyclopentane-1-carboxylic acid

C10H12O5 — CID 139699207

IUPACcis-(1S,2R)-3-oxo-2-prop-2-enoxycarbonylcyclopentane-1-carboxylic acid
SMILESC=CCOC(=O)[C@H]1C(=O)CC[C@@H]1C(=O)O
InChIInChI=1S/C10H12O5/c1-2-5-15-10(14)8-6(9(12)13)3-4-7(8)11/h2,6,8H,1,3-5H2,(H,12,13)/t6-,8+/m0/s1
InChIKeyUHGMBDUQFXCZIB-POYBYMJQSA-N
MW212.20 g/mol
LogP0.40
Rot. Bonds4

About cis-(1S,2R)-3-oxo-2-prop-2-enoxycarbonylcyclopentane-1-carboxylic acid

cis-(1S,2R)-3-oxo-2-prop-2-enoxycarbonylcyclopentane-1-carboxylic acid (PubChem CID 139699207) has the molecular formula C10H12O5 and a molecular weight of 212.20 g/mol. Its IUPAC name is cis-(1S,2R)-3-oxo-2-prop-2-enoxycarbonylcyclopentane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1S,2R)-3-oxo-2-prop-2-enoxycarbonylcyclopentane-1-carboxylic acid
PubChem CID139699207
Molecular FormulaC10H12O5
Molecular Weight212.20 g/mol
Exact Mass212.07
IUPAC Namecis-(1S,2R)-3-oxo-2-prop-2-enoxycarbonylcyclopentane-1-carboxylic acid
SMILESC=CCOC(=O)[C@H]1C(=O)CC[C@@H]1C(=O)O
InChIInChI=1S/C10H12O5/c1-2-5-15-10(14)8-6(9(12)13)3-4-7(8)11/h2,6,8H,1,3-5H2,(H,12,13)/t6-,8+/m0/s1
InChIKeyUHGMBDUQFXCZIB-POYBYMJQSA-N
XLogP0.40
TPSA80.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.20
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-O-methyl 2-O-prop-2-enyl 3,6-dioxocyclohexane-1,2-dicarboxylate
CID 67700062
prop-2-enyl 2-methyl-4-oxothiane-3-carboxylate
CID 131850473
2,5-dioxo-4-prop-2-enoxycarbonylcyclohexane-1-carboxylic acid
CID 70508828
4-prop-2-enoxycarbonylcyclohexane-1-carboxylic acid
CID 66952596
3-prop-2-enoxycarbonylcyclohexane-1-carboxylic acid
CID 66952306
prop-2-enyl 5-oxopyrrolidine-2-carboxylate
CID 14038126
prop-2-enyl 3-oxooxetane-2-carboxylate
CID 175402540
bis(prop-2-enyl) 4-methylcyclohexane-1,2-dicarboxylate
CID 21184997
carbonic acid;prop-2-enyl (1R)-3-methylidenecyclopentane-1-carboxylate
CID 70114517
cis-ethyl (1S,2R)-2-methyl-5-oxocyclopentane-1-carboxylate
CID 15253094
prop-2-enyl (3aR,6aS)-2-oxo-3,3a,4,6a-tetrahydro-1H-pentalene-1-carboxylate
CID 24767237
prop-2-enyl cyclododecanecarboxylate
CID 139624721

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-3-oxo-2-prop-2-enoxycarbonylcyclopentane-1-carboxylic acid?
The IUPAC name of cis-(1S,2R)-3-oxo-2-prop-2-enoxycarbonylcyclopentane-1-carboxylic acid (CID 139699207) is cis-(1S,2R)-3-oxo-2-prop-2-enoxycarbonylcyclopentane-1-carboxylic acid.
What is the SMILES notation for cis-(1S,2R)-3-oxo-2-prop-2-enoxycarbonylcyclopentane-1-carboxylic acid?
The canonical SMILES for cis-(1S,2R)-3-oxo-2-prop-2-enoxycarbonylcyclopentane-1-carboxylic acid is C=CCOC(=O)[C@H]1C(=O)CC[C@@H]1C(=O)O.
What is the InChIKey of cis-(1S,2R)-3-oxo-2-prop-2-enoxycarbonylcyclopentane-1-carboxylic acid?
The InChIKey is UHGMBDUQFXCZIB-POYBYMJQSA-N. The full InChI is InChI=1S/C10H12O5/c1-2-5-15-10(14)8-6(9(12)13)3-4-7(8)11/h2,6,8H,1,3-5H2,(H,12,13)/t6-,8+/m0/s1.
What are the key properties of cis-(1S,2R)-3-oxo-2-prop-2-enoxycarbonylcyclopentane-1-carboxylic acid?
cis-(1S,2R)-3-oxo-2-prop-2-enoxycarbonylcyclopentane-1-carboxylic acid has a molecular weight of 212.20 g/mol, XLogP of 0.40, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-3-oxo-2-prop-2-enoxycarbonylcyclopentane-1-carboxylic acid is sourced from PubChem (CID 139699207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).