prop-2-enyl 2-acetamidoprop-2-enoate

C8H11NO3 — CID 42611566

IUPACprop-2-enyl 2-acetamidoprop-2-enoate
SMILESC=CCOC(=O)C(=C)NC(C)=O
InChIInChI=1S/C8H11NO3/c1-4-5-12-8(11)6(2)9-7(3)10/h4H,1-2,5H2,3H3,(H,9,10)
InChIKeyRLOWLCFDZJISOM-UHFFFAOYSA-N
MW169.18 g/mol
LogP0.37
Rot. Bonds4

About prop-2-enyl 2-acetamidoprop-2-enoate

prop-2-enyl 2-acetamidoprop-2-enoate (PubChem CID 42611566) has the molecular formula C8H11NO3 and a molecular weight of 169.18 g/mol. Its IUPAC name is prop-2-enyl 2-acetamidoprop-2-enoate.

Molecular Properties

Compound Nameprop-2-enyl 2-acetamidoprop-2-enoate
PubChem CID42611566
Molecular FormulaC8H11NO3
Molecular Weight169.18 g/mol
Exact Mass169.07
IUPAC Nameprop-2-enyl 2-acetamidoprop-2-enoate
SMILESC=CCOC(=O)C(=C)NC(C)=O
InChIInChI=1S/C8H11NO3/c1-4-5-12-8(11)6(2)9-7(3)10/h4H,1-2,5H2,3H3,(H,9,10)
InChIKeyRLOWLCFDZJISOM-UHFFFAOYSA-N
XLogP0.37
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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 prop-2-enyl 2-acetamidoprop-2-enoate?
The IUPAC name of prop-2-enyl 2-acetamidoprop-2-enoate (CID 42611566) is prop-2-enyl 2-acetamidoprop-2-enoate.
What is the SMILES notation for prop-2-enyl 2-acetamidoprop-2-enoate?
The canonical SMILES for prop-2-enyl 2-acetamidoprop-2-enoate is C=CCOC(=O)C(=C)NC(C)=O.
What is the InChIKey of prop-2-enyl 2-acetamidoprop-2-enoate?
The InChIKey is RLOWLCFDZJISOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO3/c1-4-5-12-8(11)6(2)9-7(3)10/h4H,1-2,5H2,3H3,(H,9,10).
What are the key properties of prop-2-enyl 2-acetamidoprop-2-enoate?
prop-2-enyl 2-acetamidoprop-2-enoate has a molecular weight of 169.18 g/mol, XLogP of 0.37, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl 2-acetamidoprop-2-enoate is sourced from PubChem (CID 42611566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).