3-(methylamino)propyl prop-2-enoate

C7H13NO2 — CID 18325517

IUPAC3-(methylamino)propyl prop-2-enoate
SMILESC=CC(=O)OCCCNC
InChIInChI=1S/C7H13NO2/c1-3-7(9)10-6-4-5-8-2/h3,8H,1,4-6H2,2H3
InChIKeyJSQODGWTXGANKP-UHFFFAOYSA-N
MW143.19 g/mol
LogP0.33
Rot. Bonds5

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

3-(methylamino)propyl prop-2-enoate (PubChem CID 18325517) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is 3-(methylamino)propyl prop-2-enoate.

Molecular Properties

Compound Name3-(methylamino)propyl prop-2-enoate
PubChem CID18325517
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC Name3-(methylamino)propyl prop-2-enoate
SMILESC=CC(=O)OCCCNC
InChIInChI=1S/C7H13NO2/c1-3-7(9)10-6-4-5-8-2/h3,8H,1,4-6H2,2H3
InChIKeyJSQODGWTXGANKP-UHFFFAOYSA-N
XLogP0.33
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 50.33
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-(methylamino)propyl prop-2-enoate?
The IUPAC name of 3-(methylamino)propyl prop-2-enoate (CID 18325517) is 3-(methylamino)propyl prop-2-enoate.
What is the SMILES notation for 3-(methylamino)propyl prop-2-enoate?
The canonical SMILES for 3-(methylamino)propyl prop-2-enoate is C=CC(=O)OCCCNC.
What is the InChIKey of 3-(methylamino)propyl prop-2-enoate?
The InChIKey is JSQODGWTXGANKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2/c1-3-7(9)10-6-4-5-8-2/h3,8H,1,4-6H2,2H3.
What are the key properties of 3-(methylamino)propyl prop-2-enoate?
3-(methylamino)propyl prop-2-enoate has a molecular weight of 143.19 g/mol, XLogP of 0.33, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylamino)propyl prop-2-enoate is sourced from PubChem (CID 18325517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).