2-cyclopropylideneethyl acetate

C7H10O2 — CID 14809849

IUPAC2-cyclopropylideneethyl acetate
SMILESCC(=O)OCC=C1CC1
InChIInChI=1S/C7H10O2/c1-6(8)9-5-4-7-2-3-7/h4H,2-3,5H2,1H3
InChIKeyHVEUHFLFIVXRNK-UHFFFAOYSA-N
MW126.15 g/mol
LogP1.27
Rot. Bonds2

About 2-cyclopropylideneethyl acetate

2-cyclopropylideneethyl acetate (PubChem CID 14809849) has the molecular formula C7H10O2 and a molecular weight of 126.15 g/mol. Its IUPAC name is 2-cyclopropylideneethyl acetate.

Molecular Properties

Compound Name2-cyclopropylideneethyl acetate
PubChem CID14809849
Molecular FormulaC7H10O2
Molecular Weight126.15 g/mol
Exact Mass126.07
IUPAC Name2-cyclopropylideneethyl acetate
SMILESCC(=O)OCC=C1CC1
InChIInChI=1S/C7H10O2/c1-6(8)9-5-4-7-2-3-7/h4H,2-3,5H2,1H3
InChIKeyHVEUHFLFIVXRNK-UHFFFAOYSA-N
XLogP1.27
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.15
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(oxolan-3-ylidene)ethyl acetate
CID 175125851
tert-butyl (5E)-5-(2-acetyloxyethylidene)-3-methylazepane-1-carboxylate
CID 155716672
3-methylbut-2-enyl acetate
CID 87304509
4-hydroxybut-2-enyl acetate
CID 54073989
[(2Z)-2-(3-oxo-1H-inden-2-ylidene)ethyl] acetate
CID 14643774
[(E)-3-dimethoxyphosphorylprop-2-enyl] acetate
CID 11052829
aminomethyl acetate;hydrate
CID 173252999
aminomethyl acetate;dihydrochloride
CID 175752598
CID 157409555
CID 157409555
[(Z)-3-methoxybut-2-enyl] acetate
CID 135086169
butan-2-one;prop-2-enyl acetate
CID 118347758
[(Z)-4-chloro-3-methyl-4-oxobut-2-enyl] acetate
CID 71477006

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropylideneethyl acetate?
The IUPAC name of 2-cyclopropylideneethyl acetate (CID 14809849) is 2-cyclopropylideneethyl acetate.
What is the SMILES notation for 2-cyclopropylideneethyl acetate?
The canonical SMILES for 2-cyclopropylideneethyl acetate is CC(=O)OCC=C1CC1.
What is the InChIKey of 2-cyclopropylideneethyl acetate?
The InChIKey is HVEUHFLFIVXRNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O2/c1-6(8)9-5-4-7-2-3-7/h4H,2-3,5H2,1H3.
What are the key properties of 2-cyclopropylideneethyl acetate?
2-cyclopropylideneethyl acetate has a molecular weight of 126.15 g/mol, XLogP of 1.27, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropylideneethyl acetate is sourced from PubChem (CID 14809849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).