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

C₇H₁₄ClNO₂ — CID 141042044

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

Propyl 3-(methylamino)prop-2-enoate;hydrochloride (PubChem CID 141042044) has the molecular formula C₇H₁₄ClNO₂ and a molecular weight of 179.65 g/mol. Its IUPAC name is propyl 3-(methylamino)prop-2-enoate;hydrochloride.

Molecular Properties

• Compound Name: Propyl 3-(methylamino)prop-2-enoate;hydrochloride
• PubChem CID: 141042044
• Molecular Formula: C₇H₁₄ClNO₂
• Molecular Weight: 179.65 g/mol
• Exact Mass: 179.07
• IUPAC Name: propyl 3-(methylamino)prop-2-enoate;hydrochloride
• SMILES: CCCOC(=O)C=CNC.Cl
• InChI: InChI=1S/C7H13NO2.ClH/c1-3-6-10-7(9)4-5-8-2;/h4-5,8H,3,6H2,1-2H3;1H
• InChIKey: RJTDWDIWBINXHW-UHFFFAOYSA-N
• XLogP: 1.09
• TPSA: 38.33 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 11
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	179.65
LogP ≤ 5	1.09
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of Propyl 3-(methylamino)prop-2-enoate;hydrochloride?

The IUPAC name of Propyl 3-(methylamino)prop-2-enoate;hydrochloride (CID 141042044) is propyl 3-(methylamino)prop-2-enoate;hydrochloride.

What is the SMILES notation for Propyl 3-(methylamino)prop-2-enoate;hydrochloride?

The canonical SMILES for Propyl 3-(methylamino)prop-2-enoate;hydrochloride is CCCOC(=O)C=CNC.Cl.

What is the InChIKey of Propyl 3-(methylamino)prop-2-enoate;hydrochloride?

The InChIKey is RJTDWDIWBINXHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2.ClH/c1-3-6-10-7(9)4-5-8-2;/h4-5,8H,3,6H2,1-2H3;1H.

What are the key properties of Propyl 3-(methylamino)prop-2-enoate;hydrochloride?

Propyl 3-(methylamino)prop-2-enoate;hydrochloride has a molecular weight of 179.65 g/mol, XLogP of 1.09, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for Propyl 3-(methylamino)prop-2-enoate;hydrochloride is sourced from PubChem (CID 141042044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 141042044 — identifiers, structure, computed properties (public domain)

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