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

C7H14ClNO2 — CID 141042044

IUPACpropyl 3-(methylamino)prop-2-enoate;hydrochloride
SMILESCCCOC(=O)C=CNC.Cl
InChIInChI=1S/C7H13NO2.ClH/c1-3-6-10-7(9)4-5-8-2;/h4-5,8H,3,6H2,1-2H3;1H
InChIKeyRJTDWDIWBINXHW-UHFFFAOYSA-N
MW179.65 g/mol
LogP1.09
Rot. Bonds4

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 Namepropyl 3-(methylamino)prop-2-enoate;hydrochloride
PubChem CID141042044
Molecular FormulaC7H14ClNO2
Molecular Weight179.65 g/mol
Exact Mass179.07
IUPAC Namepropyl 3-(methylamino)prop-2-enoate;hydrochloride
SMILESCCCOC(=O)C=CNC.Cl
InChIInChI=1S/C7H13NO2.ClH/c1-3-6-10-7(9)4-5-8-2;/h4-5,8H,3,6H2,1-2H3;1H
InChIKeyRJTDWDIWBINXHW-UHFFFAOYSA-N
XLogP1.09
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.65
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

propyl 3-(ethylamino)prop-2-enoate
CID 141042047
propyl 3-aminoprop-2-enoate
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1-O-propyl 4-O-silyl but-2-enedioate
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propyl 5-methyl-4-oxohexa-2,5-dienoate
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propyl (E)-4-oxo-4-[4-[[(E)-4-oxo-4-propoxybut-2-enoyl]amino]butylamino]but-2-enoate
CID 11793380
3-oxo-3-propoxyprop-1-ene-1-sulfonic acid
CID 54108023
4-O-pentan-3-yl 1-O-propyl (E)-but-2-enedioate
CID 91717412
propyl hepta-2,4,6-trienoate
CID 91134520
CID 57489595
CID 57489595
N-propan-2-ylpropan-2-amine;propyl prop-2-enoate
CID 175325942
propyl 2-(methylaminooxy)acetate;hydrochloride
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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).