3-(propanoylamino)propyl prop-2-enoate

C9H15NO3 — CID 15857754

IUPAC3-(propanoylamino)propyl prop-2-enoate
SMILESC=CC(=O)OCCCNC(=O)CC
InChIInChI=1S/C9H15NO3/c1-3-8(11)10-6-5-7-13-9(12)4-2/h4H,2-3,5-7H2,1H3,(H,10,11)
InChIKeyZRNZFLGTKZGTFI-UHFFFAOYSA-N
MW185.22 g/mol
LogP0.63
Rot. Bonds6

About 3-(propanoylamino)propyl prop-2-enoate

3-(propanoylamino)propyl prop-2-enoate (PubChem CID 15857754) has the molecular formula C9H15NO3 and a molecular weight of 185.22 g/mol. Its IUPAC name is 3-(propanoylamino)propyl prop-2-enoate.

Molecular Properties

Compound Name3-(propanoylamino)propyl prop-2-enoate
PubChem CID15857754
Molecular FormulaC9H15NO3
Molecular Weight185.22 g/mol
Exact Mass185.11
IUPAC Name3-(propanoylamino)propyl prop-2-enoate
SMILESC=CC(=O)OCCCNC(=O)CC
InChIInChI=1S/C9H15NO3/c1-3-8(11)10-6-5-7-13-9(12)4-2/h4H,2-3,5-7H2,1H3,(H,10,11)
InChIKeyZRNZFLGTKZGTFI-UHFFFAOYSA-N
XLogP0.63
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.22
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(propanoylamino)propyl prop-2-enoate?
The IUPAC name of 3-(propanoylamino)propyl prop-2-enoate (CID 15857754) is 3-(propanoylamino)propyl prop-2-enoate.
What is the SMILES notation for 3-(propanoylamino)propyl prop-2-enoate?
The canonical SMILES for 3-(propanoylamino)propyl prop-2-enoate is C=CC(=O)OCCCNC(=O)CC.
What is the InChIKey of 3-(propanoylamino)propyl prop-2-enoate?
The InChIKey is ZRNZFLGTKZGTFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO3/c1-3-8(11)10-6-5-7-13-9(12)4-2/h4H,2-3,5-7H2,1H3,(H,10,11).
What are the key properties of 3-(propanoylamino)propyl prop-2-enoate?
3-(propanoylamino)propyl prop-2-enoate has a molecular weight of 185.22 g/mol, XLogP of 0.63, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(propanoylamino)propyl prop-2-enoate is sourced from PubChem (CID 15857754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).