(2E)-2-(2,2-dimethylcyclopropylidene)acetic acid

C7H10O2 — CID 122199254

IUPAC(2E)-2-(2,2-dimethylcyclopropylidene)acetic acid
SMILESCC1(C)C/C1=C\C(=O)O
InChIInChI=1S/C7H10O2/c1-7(2)4-5(7)3-6(8)9/h3H,4H2,1-2H3,(H,8,9)/b5-3+
InChIKeyACWBTDGEHKYBTK-HWKANZROSA-N
MW126.15 g/mol
LogP1.43
Rot. Bonds1

About (2E)-2-(2,2-dimethylcyclopropylidene)acetic acid

(2E)-2-(2,2-dimethylcyclopropylidene)acetic acid (PubChem CID 122199254) has the molecular formula C7H10O2 and a molecular weight of 126.15 g/mol. Its IUPAC name is (2E)-2-(2,2-dimethylcyclopropylidene)acetic acid.

Molecular Properties

Compound Name(2E)-2-(2,2-dimethylcyclopropylidene)acetic acid
PubChem CID122199254
Molecular FormulaC7H10O2
Molecular Weight126.15 g/mol
Exact Mass126.07
IUPAC Name(2E)-2-(2,2-dimethylcyclopropylidene)acetic acid
SMILESCC1(C)C/C1=C\C(=O)O
InChIInChI=1S/C7H10O2/c1-7(2)4-5(7)3-6(8)9/h3H,4H2,1-2H3,(H,8,9)/b5-3+
InChIKeyACWBTDGEHKYBTK-HWKANZROSA-N
XLogP1.43
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.15
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

CID 46868112
CID 46868112
(2E)-2-(3,3-dimethylcyclohexylidene)acetic acid
CID 6428755
(2Z)-2-[(1S,5R)-5-methyl-6-bicyclo[3.2.0]hept-3-enylidene]acetic acid
CID 68617287
cis-(1S,2R)-1,2-dimethyl-4-oxocyclopentane-1,2-dicarboxylic acid
CID 67620806
2-cycloprop-2-en-1-ylideneacetic acid
CID 131854742
2-[(1R,4S)-4,7,7-trimethyl-3-oxo-2-bicyclo[2.2.1]heptanylidene]acetic acid
CID 163169608
(2E)-2-(4,7,7-trimethyl-3-oxo-2-bicyclo[2.2.1]heptanylidene)acetic acid
CID 6382165
(2Z)-2-[(1S,4S)-4,7,7-trimethyl-3-oxo-2-bicyclo[2.2.1]heptanylidene]acetic acid
CID 98103226
(2E)-2-(6-ethyl-2,2-dimethyl-3H-chromen-4-ylidene)acetic acid
CID 82086114
(1S,2R,5S,6R)-2-amino-3-(carboxymethylidene)bicyclo[3.1.0]hexane-2,6-dicarboxylic acid
CID 57070876
2-cyclooctylideneacetic acid
CID 10442086
2-(2,2,3-trimethyl-5-oxocyclopent-3-en-1-ylidene)acetic acid
CID 140519943

Frequently Asked Questions

What is the IUPAC name of (2E)-2-(2,2-dimethylcyclopropylidene)acetic acid?
The IUPAC name of (2E)-2-(2,2-dimethylcyclopropylidene)acetic acid (CID 122199254) is (2E)-2-(2,2-dimethylcyclopropylidene)acetic acid.
What is the SMILES notation for (2E)-2-(2,2-dimethylcyclopropylidene)acetic acid?
The canonical SMILES for (2E)-2-(2,2-dimethylcyclopropylidene)acetic acid is CC1(C)C/C1=C\C(=O)O.
What is the InChIKey of (2E)-2-(2,2-dimethylcyclopropylidene)acetic acid?
The InChIKey is ACWBTDGEHKYBTK-HWKANZROSA-N. The full InChI is InChI=1S/C7H10O2/c1-7(2)4-5(7)3-6(8)9/h3H,4H2,1-2H3,(H,8,9)/b5-3+.
What are the key properties of (2E)-2-(2,2-dimethylcyclopropylidene)acetic acid?
(2E)-2-(2,2-dimethylcyclopropylidene)acetic acid has a molecular weight of 126.15 g/mol, XLogP of 1.43, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-(2,2-dimethylcyclopropylidene)acetic acid is sourced from PubChem (CID 122199254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).