(1-ethenylcyclopropyl) prop-2-enoate

C8H10O2 — CID 22991067

IUPAC(1-ethenylcyclopropyl) prop-2-enoate
SMILESC=CC(=O)OC1(C=C)CC1
InChIInChI=1S/C8H10O2/c1-3-7(9)10-8(4-2)5-6-8/h3-4H,1-2,5-6H2
InChIKeyRVHWUNZIOUMHMX-UHFFFAOYSA-N
MW138.17 g/mol
LogP1.43
Rot. Bonds3

About (1-ethenylcyclopropyl) prop-2-enoate

(1-ethenylcyclopropyl) prop-2-enoate (PubChem CID 22991067) has the molecular formula C8H10O2 and a molecular weight of 138.17 g/mol. Its IUPAC name is (1-ethenylcyclopropyl) prop-2-enoate.

Molecular Properties

Compound Name(1-ethenylcyclopropyl) prop-2-enoate
PubChem CID22991067
Molecular FormulaC8H10O2
Molecular Weight138.17 g/mol
Exact Mass138.07
IUPAC Name(1-ethenylcyclopropyl) prop-2-enoate
SMILESC=CC(=O)OC1(C=C)CC1
InChIInChI=1S/C8H10O2/c1-3-7(9)10-8(4-2)5-6-8/h3-4H,1-2,5-6H2
InChIKeyRVHWUNZIOUMHMX-UHFFFAOYSA-N
XLogP1.43
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.17
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-4-(1-ethenylcyclopropyl)oxy-4-oxobut-2-enoic acid
CID 67502750
(7-prop-2-enoyloxy-7-bicyclo[2.2.1]heptanyl) prop-2-enoate
CID 57103499
[2-[2-(2-prop-2-enoyloxyoxetan-2-yl)ethyl]oxetan-2-yl] prop-2-enoate
CID 175067757
(1-ethenylcyclopentyl) propanoate
CID 146487266
(1-propan-2-ylcyclobutyl) prop-2-enoate
CID 141276089
[1-[2-(1-prop-2-enoyloxycyclohexyl)propan-2-yl]cyclohexyl] prop-2-enoate
CID 20502006
(1,1,4-trimethylsilinan-4-yl) prop-2-enoate
CID 18381221
(1-ethenylcyclohexyl) propanoate
CID 21115640
(1-propan-2-ylcyclohexyl) prop-2-enoate
CID 58734584
(1,2,2-trimethylcyclooctyl) prop-2-enoate
CID 164546648
1-bicyclo[4.4.3]tridecanyl prop-2-enoate
CID 169221780
1-bicyclo[3.3.2]decanyl prop-2-enoate
CID 164546503

Frequently Asked Questions

What is the IUPAC name of (1-ethenylcyclopropyl) prop-2-enoate?
The IUPAC name of (1-ethenylcyclopropyl) prop-2-enoate (CID 22991067) is (1-ethenylcyclopropyl) prop-2-enoate.
What is the SMILES notation for (1-ethenylcyclopropyl) prop-2-enoate?
The canonical SMILES for (1-ethenylcyclopropyl) prop-2-enoate is C=CC(=O)OC1(C=C)CC1.
What is the InChIKey of (1-ethenylcyclopropyl) prop-2-enoate?
The InChIKey is RVHWUNZIOUMHMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O2/c1-3-7(9)10-8(4-2)5-6-8/h3-4H,1-2,5-6H2.
What are the key properties of (1-ethenylcyclopropyl) prop-2-enoate?
(1-ethenylcyclopropyl) prop-2-enoate has a molecular weight of 138.17 g/mol, XLogP of 1.43, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethenylcyclopropyl) prop-2-enoate is sourced from PubChem (CID 22991067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).