2-(3-methylidenecyclobutyl)acetic acid

C7H10O2 — CID 21122278

IUPAC2-(3-methylidenecyclobutyl)acetic acid
SMILESC=C1CC(CC(=O)O)C1
InChIInChI=1S/C7H10O2/c1-5-2-6(3-5)4-7(8)9/h6H,1-4H2,(H,8,9)
InChIKeyYANONGGWAIOORZ-UHFFFAOYSA-N
MW126.16 g/mol
LogP1.43
Rot. Bonds2

About 2-(3-methylidenecyclobutyl)acetic acid

2-(3-methylidenecyclobutyl)acetic acid (PubChem CID 21122278) has the molecular formula C7H10O2 and a molecular weight of 126.16 g/mol. Its IUPAC name is 2-(3-methylidenecyclobutyl)acetic acid.

Molecular Properties

Compound Name2-(3-methylidenecyclobutyl)acetic acid
PubChem CID21122278
Molecular FormulaC7H10O2
Molecular Weight126.16 g/mol
Exact Mass126.07
IUPAC Name2-(3-methylidenecyclobutyl)acetic acid
SMILESC=C1CC(CC(=O)O)C1
InChIInChI=1S/C7H10O2/c1-5-2-6(3-5)4-7(8)9/h6H,1-4H2,(H,8,9)
InChIKeyYANONGGWAIOORZ-UHFFFAOYSA-N
XLogP1.43
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.16
LogP ≤ 51.43
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

5-Methylhex-5-enoic acid
CID 549600
3-Methylenecyclobutanecarboxylic acid
CID 27475
rac-(1R,2S)-2-ethenylcyclobutane-1-carboxylic acid
CID 12721336
3-Methylenecyclopentanecarboxylic acid
CID 18614353
5-Methyl-4-methylidenehexanoic acid
CID 11344073
2-Methylene-cyclobutanecarboxylic acid
CID 20096148
2,5-Dimethylhex-5-enoic acid
CID 23180147
(1R)-3-methylidenecyclopentane-1-carboxylic acid
CID 90130625
3,4-Dimethylpent-4-enoic acid
CID 13130359
(3R)-3,4-dimethylpent-4-enoic acid
CID 55299638
(3Z)-3-(fluoromethylidene)cyclopentane-1-carboxylic acid
CID 145078814
(1R,3Z)-3-(fluoromethylidene)cyclopentane-1-carboxylic acid
CID 164001487

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylidenecyclobutyl)acetic acid?
The IUPAC name of 2-(3-methylidenecyclobutyl)acetic acid (CID 21122278) is 2-(3-methylidenecyclobutyl)acetic acid.
What is the SMILES notation for 2-(3-methylidenecyclobutyl)acetic acid?
The canonical SMILES for 2-(3-methylidenecyclobutyl)acetic acid is C=C1CC(CC(=O)O)C1.
What is the InChIKey of 2-(3-methylidenecyclobutyl)acetic acid?
The InChIKey is YANONGGWAIOORZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O2/c1-5-2-6(3-5)4-7(8)9/h6H,1-4H2,(H,8,9).
What are the key properties of 2-(3-methylidenecyclobutyl)acetic acid?
2-(3-methylidenecyclobutyl)acetic acid has a molecular weight of 126.16 g/mol, XLogP of 1.43, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylidenecyclobutyl)acetic acid is sourced from PubChem (CID 21122278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).