(1-ethenylcyclopropyl) acetate

C7H10O2 — CID 12590270

IUPAC(1-ethenylcyclopropyl) acetate
SMILESC=CC1(OC(C)=O)CC1
InChIInChI=1S/C7H10O2/c1-3-7(4-5-7)9-6(2)8/h3H,1,4-5H2,2H3
InChIKeyOTVSKUCTCZDVDV-UHFFFAOYSA-N
MW126.15 g/mol
LogP1.27
Rot. Bonds2

About (1-ethenylcyclopropyl) acetate

(1-ethenylcyclopropyl) acetate (PubChem CID 12590270) has the molecular formula C7H10O2 and a molecular weight of 126.15 g/mol. Its IUPAC name is (1-ethenylcyclopropyl) acetate.

Molecular Properties

Compound Name(1-ethenylcyclopropyl) acetate
PubChem CID12590270
Molecular FormulaC7H10O2
Molecular Weight126.15 g/mol
Exact Mass126.07
IUPAC Name(1-ethenylcyclopropyl) acetate
SMILESC=CC1(OC(C)=O)CC1
InChIInChI=1S/C7H10O2/c1-3-7(4-5-7)9-6(2)8/h3H,1,4-5H2,2H3
InChIKeyOTVSKUCTCZDVDV-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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Frequently Asked Questions

What is the IUPAC name of (1-ethenylcyclopropyl) acetate?
The IUPAC name of (1-ethenylcyclopropyl) acetate (CID 12590270) is (1-ethenylcyclopropyl) acetate.
What is the SMILES notation for (1-ethenylcyclopropyl) acetate?
The canonical SMILES for (1-ethenylcyclopropyl) acetate is C=CC1(OC(C)=O)CC1.
What is the InChIKey of (1-ethenylcyclopropyl) acetate?
The InChIKey is OTVSKUCTCZDVDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O2/c1-3-7(4-5-7)9-6(2)8/h3H,1,4-5H2,2H3.
What are the key properties of (1-ethenylcyclopropyl) acetate?
(1-ethenylcyclopropyl) 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 (1-ethenylcyclopropyl) acetate is sourced from PubChem (CID 12590270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).