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

C5H6O2 — CID 11412347

IUPAC(1S)-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-/m0/s1
InChIKeyQJUQASYVMKRUMN-BYPYZUCNSA-N
MW98.10 g/mol
LogP0.65
Rot. Bonds1

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

(1S)-2-methylidenecyclopropane-1-carboxylic acid (PubChem CID 11412347) has the molecular formula C5H6O2 and a molecular weight of 98.10 g/mol. Its IUPAC name is (1S)-2-methylidenecyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name(1S)-2-methylidenecyclopropane-1-carboxylic acid
PubChem CID11412347
Molecular FormulaC5H6O2
Molecular Weight98.10 g/mol
Exact Mass98.04
IUPAC Name(1S)-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-/m0/s1
InChIKeyQJUQASYVMKRUMN-BYPYZUCNSA-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 (1S)-2-methylidenecyclopropane-1-carboxylic acid?
The IUPAC name of (1S)-2-methylidenecyclopropane-1-carboxylic acid (CID 11412347) is (1S)-2-methylidenecyclopropane-1-carboxylic acid.
What is the SMILES notation for (1S)-2-methylidenecyclopropane-1-carboxylic acid?
The canonical SMILES for (1S)-2-methylidenecyclopropane-1-carboxylic acid is C=C1C[C@@H]1C(=O)O.
What is the InChIKey of (1S)-2-methylidenecyclopropane-1-carboxylic acid?
The InChIKey is QJUQASYVMKRUMN-BYPYZUCNSA-N. The full InChI is InChI=1S/C5H6O2/c1-3-2-4(3)5(6)7/h4H,1-2H2,(H,6,7)/t4-/m0/s1.
What are the key properties of (1S)-2-methylidenecyclopropane-1-carboxylic acid?
(1S)-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 (1S)-2-methylidenecyclopropane-1-carboxylic acid is sourced from PubChem (CID 11412347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).