3-(methylamino)propyl prop-2-enoate;hydrochloride

C7H14ClNO2 — CID 22475656

IUPAC3-(methylamino)propyl prop-2-enoate;hydrochloride
SMILESC=CC(=O)OCCCNC.Cl
InChIInChI=1S/C7H13NO2.ClH/c1-3-7(9)10-6-4-5-8-2;/h3,8H,1,4-6H2,2H3;1H
InChIKeyIBYDTXAELLOCQL-UHFFFAOYSA-N
MW179.65 g/mol
LogP0.75
Rot. Bonds5

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

3-(methylamino)propyl prop-2-enoate;hydrochloride (PubChem CID 22475656) has the molecular formula C7H14ClNO2 and a molecular weight of 179.65 g/mol. Its IUPAC name is 3-(methylamino)propyl prop-2-enoate;hydrochloride.

Molecular Properties

Compound Name3-(methylamino)propyl prop-2-enoate;hydrochloride
PubChem CID22475656
Molecular FormulaC7H14ClNO2
Molecular Weight179.65 g/mol
Exact Mass179.07
IUPAC Name3-(methylamino)propyl prop-2-enoate;hydrochloride
SMILESC=CC(=O)OCCCNC.Cl
InChIInChI=1S/C7H13NO2.ClH/c1-3-7(9)10-6-4-5-8-2;/h3,8H,1,4-6H2,2H3;1H
InChIKeyIBYDTXAELLOCQL-UHFFFAOYSA-N
XLogP0.75
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.65
LogP ≤ 50.75
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'}

Analyze 3-(methylamino)propyl prop-2-enoate;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(methylamino)propyl prop-2-enoate;hydrochloride?
The IUPAC name of 3-(methylamino)propyl prop-2-enoate;hydrochloride (CID 22475656) is 3-(methylamino)propyl prop-2-enoate;hydrochloride.
What is the SMILES notation for 3-(methylamino)propyl prop-2-enoate;hydrochloride?
The canonical SMILES for 3-(methylamino)propyl prop-2-enoate;hydrochloride is C=CC(=O)OCCCNC.Cl.
What is the InChIKey of 3-(methylamino)propyl prop-2-enoate;hydrochloride?
The InChIKey is IBYDTXAELLOCQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2.ClH/c1-3-7(9)10-6-4-5-8-2;/h3,8H,1,4-6H2,2H3;1H.
What are the key properties of 3-(methylamino)propyl prop-2-enoate;hydrochloride?
3-(methylamino)propyl prop-2-enoate;hydrochloride has a molecular weight of 179.65 g/mol, XLogP of 0.75, 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;hydrochloride is sourced from PubChem (CID 22475656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).