but-3-enyl prop-2-enoate

C7H10O2 — CID 18372054

IUPACbut-3-enyl prop-2-enoate
SMILESC=CCCOC(=O)C=C
InChIInChI=1S/C7H10O2/c1-3-5-6-9-7(8)4-2/h3-4H,1-2,5-6H2
InChIKeyKHCUIHPWMFJSHA-UHFFFAOYSA-N
MW126.15 g/mol
LogP1.29
Rot. Bonds4

About but-3-enyl prop-2-enoate

but-3-enyl prop-2-enoate (PubChem CID 18372054) has the molecular formula C7H10O2 and a molecular weight of 126.15 g/mol. Its IUPAC name is but-3-enyl prop-2-enoate.

Molecular Properties

Compound Namebut-3-enyl prop-2-enoate
PubChem CID18372054
Molecular FormulaC7H10O2
Molecular Weight126.15 g/mol
Exact Mass126.07
IUPAC Namebut-3-enyl prop-2-enoate
SMILESC=CCCOC(=O)C=C
InChIInChI=1S/C7H10O2/c1-3-5-6-9-7(8)4-2/h3-4H,1-2,5-6H2
InChIKeyKHCUIHPWMFJSHA-UHFFFAOYSA-N
XLogP1.29
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.15
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of but-3-enyl prop-2-enoate?
The IUPAC name of but-3-enyl prop-2-enoate (CID 18372054) is but-3-enyl prop-2-enoate.
What is the SMILES notation for but-3-enyl prop-2-enoate?
The canonical SMILES for but-3-enyl prop-2-enoate is C=CCCOC(=O)C=C.
What is the InChIKey of but-3-enyl prop-2-enoate?
The InChIKey is KHCUIHPWMFJSHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O2/c1-3-5-6-9-7(8)4-2/h3-4H,1-2,5-6H2.
What are the key properties of but-3-enyl prop-2-enoate?
but-3-enyl prop-2-enoate has a molecular weight of 126.15 g/mol, XLogP of 1.29, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for but-3-enyl prop-2-enoate is sourced from PubChem (CID 18372054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).