2-methyl-N-prop-2-enylpropanamide;dihydrochloride

C7H15Cl2NO — CID 174572104

IUPAC2-methyl-N-prop-2-enylpropanamide;dihydrochloride
SMILESC=CCNC(=O)C(C)C.Cl.Cl
InChIInChI=1S/C7H13NO.2ClH/c1-4-5-8-7(9)6(2)3;;/h4,6H,1,5H2,2-3H3,(H,8,9);2*1H
InChIKeyRPVSOIZRNSCLIT-UHFFFAOYSA-N
MW200.11 g/mol
LogP1.79
Rot. Bonds3

About 2-methyl-N-prop-2-enylpropanamide;dihydrochloride

2-methyl-N-prop-2-enylpropanamide;dihydrochloride (PubChem CID 174572104) has the molecular formula C7H15Cl2NO and a molecular weight of 200.11 g/mol. Its IUPAC name is 2-methyl-N-prop-2-enylpropanamide;dihydrochloride.

Molecular Properties

Compound Name2-methyl-N-prop-2-enylpropanamide;dihydrochloride
PubChem CID174572104
Molecular FormulaC7H15Cl2NO
Molecular Weight200.11 g/mol
Exact Mass199.05
IUPAC Name2-methyl-N-prop-2-enylpropanamide;dihydrochloride
SMILESC=CCNC(=O)C(C)C.Cl.Cl
InChIInChI=1S/C7H13NO.2ClH/c1-4-5-8-7(9)6(2)3;;/h4,6H,1,5H2,2-3H3,(H,8,9);2*1H
InChIKeyRPVSOIZRNSCLIT-UHFFFAOYSA-N
XLogP1.79
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.11
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-N-prop-2-enylbutanamide
CID 20811204
(2R)-2-methyl-N-prop-2-enylbutanamide
CID 55303611
(2S)-2-chloro-N-prop-2-enylpropanamide
CID 14203945
2-methoxy-N-prop-2-enylpropanamide
CID 100983783
N-but-3-enyl-2-methylpropanamide
CID 3434507
2,3-dimethyl-4-oxo-4-(prop-2-enylamino)butanoic acid
CID 58883098
2-[1-oxo-1-(prop-2-enylamino)propan-2-yl]sulfanylpropanoic acid
CID 43086545
2-hydroxy-N,N'-bis(prop-2-enyl)propanediamide
CID 59934483
(2S)-2,4-dimethylpentanoic acid;(2S)-2,4-dimethyl-N-prop-2-enylpentanamide
CID 90762380
2-(carbamoylamino)-3-methyl-N-prop-2-enylbutanamide
CID 60636446
2,3-dihydroxy-N-prop-2-enylpropanamide
CID 87997467
N-[2-[acetyl(prop-2-enyl)amino]ethyl]-2-methylpropanamide
CID 113052235

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-prop-2-enylpropanamide;dihydrochloride?
The IUPAC name of 2-methyl-N-prop-2-enylpropanamide;dihydrochloride (CID 174572104) is 2-methyl-N-prop-2-enylpropanamide;dihydrochloride.
What is the SMILES notation for 2-methyl-N-prop-2-enylpropanamide;dihydrochloride?
The canonical SMILES for 2-methyl-N-prop-2-enylpropanamide;dihydrochloride is C=CCNC(=O)C(C)C.Cl.Cl.
What is the InChIKey of 2-methyl-N-prop-2-enylpropanamide;dihydrochloride?
The InChIKey is RPVSOIZRNSCLIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO.2ClH/c1-4-5-8-7(9)6(2)3;;/h4,6H,1,5H2,2-3H3,(H,8,9);2*1H.
What are the key properties of 2-methyl-N-prop-2-enylpropanamide;dihydrochloride?
2-methyl-N-prop-2-enylpropanamide;dihydrochloride has a molecular weight of 200.11 g/mol, XLogP of 1.79, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-prop-2-enylpropanamide;dihydrochloride is sourced from PubChem (CID 174572104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).