(1R)-2-(2-oxoethylidene)cyclopropane-1-carboxylic acid

C6H6O3 — CID 175233757

IUPAC(1R)-2-(2-oxoethylidene)cyclopropane-1-carboxylic acid
SMILESO=CC=C1C[C@H]1C(=O)O
InChIInChI=1S/C6H6O3/c7-2-1-4-3-5(4)6(8)9/h1-2,5H,3H2,(H,8,9)/t5-/m1/s1
InChIKeyKNHNJQYMVLWYFH-RXMQYKEDSA-N
MW126.11 g/mol
LogP0.22
Rot. Bonds2

About (1R)-2-(2-oxoethylidene)cyclopropane-1-carboxylic acid

(1R)-2-(2-oxoethylidene)cyclopropane-1-carboxylic acid (PubChem CID 175233757) has the molecular formula C6H6O3 and a molecular weight of 126.11 g/mol. Its IUPAC name is (1R)-2-(2-oxoethylidene)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name(1R)-2-(2-oxoethylidene)cyclopropane-1-carboxylic acid
PubChem CID175233757
Molecular FormulaC6H6O3
Molecular Weight126.11 g/mol
Exact Mass126.03
IUPAC Name(1R)-2-(2-oxoethylidene)cyclopropane-1-carboxylic acid
SMILESO=CC=C1C[C@H]1C(=O)O
InChIInChI=1S/C6H6O3/c7-2-1-4-3-5(4)6(8)9/h1-2,5H,3H2,(H,8,9)/t5-/m1/s1
InChIKeyKNHNJQYMVLWYFH-RXMQYKEDSA-N
XLogP0.22
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.11
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1R)-2-methylidenecyclopropane-1-carboxylic acid
CID 54231794
2-ethylidenecyclohexane-1-carboxylic acid
CID 57189544
3-methyl-4-(2-oxoethylidene)piperidine-1-carboxylic acid
CID 74013277
2-oxocyclodecane-1-carboxylic acid
CID 123244832
2-methylidenecyclohexane-1-carboxylic acid
CID 14111060
2-oxocyclohexane-1-carboxylic acid;zirconium
CID 175193773
5-methylidene-2-oxooxolane-3-carboxylic acid
CID 102363919
2-oxocyclohexane-1,4-dicarboxylic acid
CID 141265494
formamide;(3R)-2-oxopyrrolidine-3-carboxylic acid;hydrochloride
CID 175132511
1-cyclopropyl-2-oxoazetidine-3-carboxylic acid
CID 82467868
(3R)-2,6-dioxopiperidine-3-carboxylic acid
CID 92974822
2-(2-ethoxy-2-oxoethylidene)cyclohexane-1-carboxylic acid
CID 137371720

Frequently Asked Questions

What is the IUPAC name of (1R)-2-(2-oxoethylidene)cyclopropane-1-carboxylic acid?
The IUPAC name of (1R)-2-(2-oxoethylidene)cyclopropane-1-carboxylic acid (CID 175233757) is (1R)-2-(2-oxoethylidene)cyclopropane-1-carboxylic acid.
What is the SMILES notation for (1R)-2-(2-oxoethylidene)cyclopropane-1-carboxylic acid?
The canonical SMILES for (1R)-2-(2-oxoethylidene)cyclopropane-1-carboxylic acid is O=CC=C1C[C@H]1C(=O)O.
What is the InChIKey of (1R)-2-(2-oxoethylidene)cyclopropane-1-carboxylic acid?
The InChIKey is KNHNJQYMVLWYFH-RXMQYKEDSA-N. The full InChI is InChI=1S/C6H6O3/c7-2-1-4-3-5(4)6(8)9/h1-2,5H,3H2,(H,8,9)/t5-/m1/s1.
What are the key properties of (1R)-2-(2-oxoethylidene)cyclopropane-1-carboxylic acid?
(1R)-2-(2-oxoethylidene)cyclopropane-1-carboxylic acid has a molecular weight of 126.11 g/mol, XLogP of 0.22, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-(2-oxoethylidene)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 175233757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).