2-(2-methylidenecyclopropyl)acetic acid

C6H8O2 — CID 10214381

IUPAC2-(2-methylidenecyclopropyl)acetic acid
SMILESC=C1CC1CC(=O)O
InChIInChI=1S/C6H8O2/c1-4-2-5(4)3-6(7)8/h5H,1-3H2,(H,7,8)
InChIKeyQJBXAEKEXKLLLZ-UHFFFAOYSA-N
MW112.13 g/mol
LogP1.04
Rot. Bonds2

About 2-(2-methylidenecyclopropyl)acetic acid

2-(2-methylidenecyclopropyl)acetic acid (PubChem CID 10214381) has the molecular formula C6H8O2 and a molecular weight of 112.13 g/mol. Its IUPAC name is 2-(2-methylidenecyclopropyl)acetic acid.

Molecular Properties

Compound Name2-(2-methylidenecyclopropyl)acetic acid
PubChem CID10214381
Molecular FormulaC6H8O2
Molecular Weight112.13 g/mol
Exact Mass112.05
IUPAC Name2-(2-methylidenecyclopropyl)acetic acid
SMILESC=C1CC1CC(=O)O
InChIInChI=1S/C6H8O2/c1-4-2-5(4)3-6(7)8/h5H,1-3H2,(H,7,8)
InChIKeyQJBXAEKEXKLLLZ-UHFFFAOYSA-N
XLogP1.04
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.13
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-Methylenecyclobutanecarboxylic acid
CID 27475
4-Methylpent-4-enoic acid
CID 5282648
2-Cyclopropylprop-2-enoic acid
CID 150877
2-Methylidenecyclopropane-1-carboxylic acid
CID 566633
3-Isopropyl-3-butenoic acid
CID 443528
2,4-Dimethylpent-4-enoic acid
CID 12216735
rac-(1R,2S)-2-ethenylcyclopropane-1-carboxylic acid
CID 12261402
(2S)-2,4-Dimethyl-4-pentenoic acid
CID 25058579
(2R)-2,4-dimethylpent-4-enoic acid
CID 59093560
rac-(1R,2R)-2-ethenylcyclopropane-1-carboxylic acid
CID 55300474
Cyclopropanecarboxylic acid, 2-ethenyl-
CID 10942379
2-Methylene-cyclobutanecarboxylic acid
CID 20096148

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylidenecyclopropyl)acetic acid?
The IUPAC name of 2-(2-methylidenecyclopropyl)acetic acid (CID 10214381) is 2-(2-methylidenecyclopropyl)acetic acid.
What is the SMILES notation for 2-(2-methylidenecyclopropyl)acetic acid?
The canonical SMILES for 2-(2-methylidenecyclopropyl)acetic acid is C=C1CC1CC(=O)O.
What is the InChIKey of 2-(2-methylidenecyclopropyl)acetic acid?
The InChIKey is QJBXAEKEXKLLLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8O2/c1-4-2-5(4)3-6(7)8/h5H,1-3H2,(H,7,8).
What are the key properties of 2-(2-methylidenecyclopropyl)acetic acid?
2-(2-methylidenecyclopropyl)acetic acid has a molecular weight of 112.13 g/mol, XLogP of 1.04, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylidenecyclopropyl)acetic acid is sourced from PubChem (CID 10214381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).