2-formylprop-2-enyl propanoate

C7H10O3 — CID 86109150

IUPAC2-formylprop-2-enyl propanoate
SMILESC=C(C=O)COC(=O)CC
InChIInChI=1S/C7H10O3/c1-3-7(9)10-5-6(2)4-8/h4H,2-3,5H2,1H3
InChIKeyNMYZXWPSZGUAIL-UHFFFAOYSA-N
MW142.15 g/mol
LogP0.69
Rot. Bonds4

About 2-formylprop-2-enyl propanoate

2-formylprop-2-enyl propanoate (PubChem CID 86109150) has the molecular formula C7H10O3 and a molecular weight of 142.15 g/mol. Its IUPAC name is 2-formylprop-2-enyl propanoate.

Molecular Properties

Compound Name2-formylprop-2-enyl propanoate
PubChem CID86109150
Molecular FormulaC7H10O3
Molecular Weight142.15 g/mol
Exact Mass142.06
IUPAC Name2-formylprop-2-enyl propanoate
SMILESC=C(C=O)COC(=O)CC
InChIInChI=1S/C7H10O3/c1-3-7(9)10-5-6(2)4-8/h4H,2-3,5H2,1H3
InChIKeyNMYZXWPSZGUAIL-UHFFFAOYSA-N
XLogP0.69
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.15
LogP ≤ 50.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-ethylbut-2-enyl propanoate
CID 90757213
ethyl 4-formylpent-4-enoate
CID 13223493
(2-ethoxy-2-oxoethyl) propanoate
CID 13301802
(2-fluoro-2-oxoethyl) propanoate
CID 172682810
2-(propoxymethyl)prop-2-enal
CID 130805109
silylmethyl propanoate
CID 152513576
azane;prop-2-enyl propanoate
CID 87729437
(2-acetyloxy-2-oxoethyl) propanoate
CID 57195909
sodium;hydride;(2-oxo-2-propanoyloxyethyl) propanoate
CID 175477931
2-formylprop-2-enyl hypofluorite
CID 145275919
[(Z)-2-methyl-3-propanoyloxyprop-2-enyl] propanoate
CID 146216360
[2-(methylamino)-2-oxoethyl] propanoate
CID 131176227

Frequently Asked Questions

What is the IUPAC name of 2-formylprop-2-enyl propanoate?
The IUPAC name of 2-formylprop-2-enyl propanoate (CID 86109150) is 2-formylprop-2-enyl propanoate.
What is the SMILES notation for 2-formylprop-2-enyl propanoate?
The canonical SMILES for 2-formylprop-2-enyl propanoate is C=C(C=O)COC(=O)CC.
What is the InChIKey of 2-formylprop-2-enyl propanoate?
The InChIKey is NMYZXWPSZGUAIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O3/c1-3-7(9)10-5-6(2)4-8/h4H,2-3,5H2,1H3.
What are the key properties of 2-formylprop-2-enyl propanoate?
2-formylprop-2-enyl propanoate has a molecular weight of 142.15 g/mol, XLogP of 0.69, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-formylprop-2-enyl propanoate is sourced from PubChem (CID 86109150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).