prop-1-enyl 2-methylprop-2-enoate

C7H10O2 — CID 54217866

IUPACprop-1-enyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC=CC
InChIInChI=1S/C7H10O2/c1-4-5-9-7(8)6(2)3/h4-5H,2H2,1,3H3
InChIKeyUHDJLJWVPNZJJO-UHFFFAOYSA-N
MW126.15 g/mol
LogP1.64
Rot. Bonds2

About prop-1-enyl 2-methylprop-2-enoate

prop-1-enyl 2-methylprop-2-enoate (PubChem CID 54217866) has the molecular formula C7H10O2 and a molecular weight of 126.15 g/mol. Its IUPAC name is prop-1-enyl 2-methylprop-2-enoate.

Molecular Properties

Compound Nameprop-1-enyl 2-methylprop-2-enoate
PubChem CID54217866
Molecular FormulaC7H10O2
Molecular Weight126.15 g/mol
Exact Mass126.07
IUPAC Nameprop-1-enyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC=CC
InChIInChI=1S/C7H10O2/c1-4-5-9-7(8)6(2)3/h4-5H,2H2,1,3H3
InChIKeyUHDJLJWVPNZJJO-UHFFFAOYSA-N
XLogP1.64
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 ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of prop-1-enyl 2-methylprop-2-enoate?
The IUPAC name of prop-1-enyl 2-methylprop-2-enoate (CID 54217866) is prop-1-enyl 2-methylprop-2-enoate.
What is the SMILES notation for prop-1-enyl 2-methylprop-2-enoate?
The canonical SMILES for prop-1-enyl 2-methylprop-2-enoate is C=C(C)C(=O)OC=CC.
What is the InChIKey of prop-1-enyl 2-methylprop-2-enoate?
The InChIKey is UHDJLJWVPNZJJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O2/c1-4-5-9-7(8)6(2)3/h4-5H,2H2,1,3H3.
What are the key properties of prop-1-enyl 2-methylprop-2-enoate?
prop-1-enyl 2-methylprop-2-enoate has a molecular weight of 126.15 g/mol, XLogP of 1.64, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for prop-1-enyl 2-methylprop-2-enoate is sourced from PubChem (CID 54217866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).