2-(methylamino)-N-prop-2-enylacetamide;hydrochloride

C6H13ClN2O — CID 53410796

IUPAC2-(methylamino)-N-prop-2-enylacetamide;hydrochloride
SMILESC=CCNC(=O)CNC.Cl
InChIInChI=1S/C6H12N2O.ClH/c1-3-4-8-6(9)5-7-2;/h3,7H,1,4-5H2,2H3,(H,8,9);1H
InChIKeyUFWBMTUMEOOEIX-UHFFFAOYSA-N
MW164.64 g/mol
LogP-0.07
Rot. Bonds4

About 2-(methylamino)-N-prop-2-enylacetamide;hydrochloride

2-(methylamino)-N-prop-2-enylacetamide;hydrochloride (PubChem CID 53410796) has the molecular formula C6H13ClN2O and a molecular weight of 164.64 g/mol. Its IUPAC name is 2-(methylamino)-N-prop-2-enylacetamide;hydrochloride.

Molecular Properties

Compound Name2-(methylamino)-N-prop-2-enylacetamide;hydrochloride
PubChem CID53410796
Molecular FormulaC6H13ClN2O
Molecular Weight164.64 g/mol
Exact Mass164.07
IUPAC Name2-(methylamino)-N-prop-2-enylacetamide;hydrochloride
SMILESC=CCNC(=O)CNC.Cl
InChIInChI=1S/C6H12N2O.ClH/c1-3-4-8-6(9)5-7-2;/h3,7H,1,4-5H2,2H3,(H,8,9);1H
InChIKeyUFWBMTUMEOOEIX-UHFFFAOYSA-N
XLogP-0.07
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.64
LogP ≤ 5-0.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(methylamino)-2-oxo-N-prop-2-enylpropanamide
CID 143353566
2-hydrazinyl-N-prop-2-enylacetamide
CID 83694224
N-prop-2-enyl-2-(propylamino)acetamide
CID 54819030
N-ethyl-2-(methylamino)acetamide;hydrochloride
CID 18526161
N-prop-2-enyl(113C)but-3-enamide
CID 173349564
4-hydroxy-N-prop-2-enylbutanamide
CID 55286226
(2R)-2-[[2-oxo-2-(prop-2-enylamino)ethyl]amino]propanoic acid
CID 83194745
2-phosphanyl-N-prop-2-enylacetamide
CID 88653876
2-(2-methylpentan-3-ylamino)-N-prop-2-enylacetamide
CID 115923473
2-(methylamino)-N-[4-[[2-(methylamino)acetyl]amino]butyl]acetamide
CID 177413313
N-prop-2-enyloctanamide
CID 4071942
2-methyl-N-prop-2-enylprop-2-enamide;hydrochloride
CID 173399852

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-N-prop-2-enylacetamide;hydrochloride?
The IUPAC name of 2-(methylamino)-N-prop-2-enylacetamide;hydrochloride (CID 53410796) is 2-(methylamino)-N-prop-2-enylacetamide;hydrochloride.
What is the SMILES notation for 2-(methylamino)-N-prop-2-enylacetamide;hydrochloride?
The canonical SMILES for 2-(methylamino)-N-prop-2-enylacetamide;hydrochloride is C=CCNC(=O)CNC.Cl.
What is the InChIKey of 2-(methylamino)-N-prop-2-enylacetamide;hydrochloride?
The InChIKey is UFWBMTUMEOOEIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O.ClH/c1-3-4-8-6(9)5-7-2;/h3,7H,1,4-5H2,2H3,(H,8,9);1H.
What are the key properties of 2-(methylamino)-N-prop-2-enylacetamide;hydrochloride?
2-(methylamino)-N-prop-2-enylacetamide;hydrochloride has a molecular weight of 164.64 g/mol, XLogP of -0.07, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-N-prop-2-enylacetamide;hydrochloride is sourced from PubChem (CID 53410796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).