(1R)-2-methylidenecyclopropane-1-carboxylic acid

C5H6O2 — CID 54231794

IUPAC(1R)-2-methylidenecyclopropane-1-carboxylic acid
SMILESC=C1C[C@H]1C(=O)O
InChIInChI=1S/C5H6O2/c1-3-2-4(3)5(6)7/h4H,1-2H2,(H,6,7)/t4-/m1/s1
InChIKeyQJUQASYVMKRUMN-SCSAIBSYSA-N
MW98.10 g/mol
LogP0.65
Rot. Bonds1

About (1R)-2-methylidenecyclopropane-1-carboxylic acid

(1R)-2-methylidenecyclopropane-1-carboxylic acid (PubChem CID 54231794) has the molecular formula C5H6O2 and a molecular weight of 98.10 g/mol. Its IUPAC name is (1R)-2-methylidenecyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name(1R)-2-methylidenecyclopropane-1-carboxylic acid
PubChem CID54231794
Molecular FormulaC5H6O2
Molecular Weight98.10 g/mol
Exact Mass98.04
IUPAC Name(1R)-2-methylidenecyclopropane-1-carboxylic acid
SMILESC=C1C[C@H]1C(=O)O
InChIInChI=1S/C5H6O2/c1-3-2-4(3)5(6)7/h4H,1-2H2,(H,6,7)/t4-/m1/s1
InChIKeyQJUQASYVMKRUMN-SCSAIBSYSA-N
XLogP0.65
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50098.10
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1R)-2-methylidenecyclopropane-1-carboxylic acid?
The IUPAC name of (1R)-2-methylidenecyclopropane-1-carboxylic acid (CID 54231794) is (1R)-2-methylidenecyclopropane-1-carboxylic acid.
What is the SMILES notation for (1R)-2-methylidenecyclopropane-1-carboxylic acid?
The canonical SMILES for (1R)-2-methylidenecyclopropane-1-carboxylic acid is C=C1C[C@H]1C(=O)O.
What is the InChIKey of (1R)-2-methylidenecyclopropane-1-carboxylic acid?
The InChIKey is QJUQASYVMKRUMN-SCSAIBSYSA-N. The full InChI is InChI=1S/C5H6O2/c1-3-2-4(3)5(6)7/h4H,1-2H2,(H,6,7)/t4-/m1/s1.
What are the key properties of (1R)-2-methylidenecyclopropane-1-carboxylic acid?
(1R)-2-methylidenecyclopropane-1-carboxylic acid has a molecular weight of 98.10 g/mol, XLogP of 0.65, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-methylidenecyclopropane-1-carboxylic acid is sourced from PubChem (CID 54231794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).