N-methylprop-2-enamide;prop-2-en-1-amine;hydrochloride

C7H15ClN2O — CID 174712757

IUPACN-methylprop-2-enamide;prop-2-en-1-amine;hydrochloride
SMILESC=CC(=O)NC.C=CCN.Cl
InChIInChI=1S/C4H7NO.C3H7N.ClH/c1-3-4(6)5-2;1-2-3-4;/h3H,1H2,2H3,(H,5,6);2H,1,3-4H2;1H
InChIKeyMJWPFUMROOTFDE-UHFFFAOYSA-N
MW178.66 g/mol
LogP0.47
Rot. Bonds2

About N-methylprop-2-enamide;prop-2-en-1-amine;hydrochloride

N-methylprop-2-enamide;prop-2-en-1-amine;hydrochloride (PubChem CID 174712757) has the molecular formula C7H15ClN2O and a molecular weight of 178.66 g/mol. Its IUPAC name is N-methylprop-2-enamide;prop-2-en-1-amine;hydrochloride.

Molecular Properties

Compound NameN-methylprop-2-enamide;prop-2-en-1-amine;hydrochloride
PubChem CID174712757
Molecular FormulaC7H15ClN2O
Molecular Weight178.66 g/mol
Exact Mass178.09
IUPAC NameN-methylprop-2-enamide;prop-2-en-1-amine;hydrochloride
SMILESC=CC(=O)NC.C=CCN.Cl
InChIInChI=1S/C4H7NO.C3H7N.ClH/c1-3-4(6)5-2;1-2-3-4;/h3H,1H2,2H3,(H,5,6);2H,1,3-4H2;1H
InChIKeyMJWPFUMROOTFDE-UHFFFAOYSA-N
XLogP0.47
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.66
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

but-1-ene;N-methylprop-2-enamide
CID 159446883
but-1-ene;N-methylprop-2-enamide;urea
CID 174740802
methanol;bis(N-methylprop-2-enamide)
CID 175170531
N,N-dimethylethanamine;N-methylprop-2-enamide;hydrochloride
CID 174733111
acetic acid;guanidine;N-methylprop-2-enamide
CID 174639401
2-hydroxyacetic acid;N-methylprop-2-enamide
CID 87472265
methylphosphonic acid;N-methylprop-2-enamide
CID 160712581
sodium;benzene;hydride;N-methylprop-2-enamide
CID 173390942
diethylalumanylium;N-methylprop-2-enamide;chloride
CID 175303125
N,N-dimethylacetamide;N-methylprop-2-enamide
CID 174991436
N-ethylprop-2-enamide;N-methylprop-2-enamide;2-methylprop-1-ene
CID 91512805
ethylideneurea;N-methylprop-2-enamide
CID 159487096

Frequently Asked Questions

What is the IUPAC name of N-methylprop-2-enamide;prop-2-en-1-amine;hydrochloride?
The IUPAC name of N-methylprop-2-enamide;prop-2-en-1-amine;hydrochloride (CID 174712757) is N-methylprop-2-enamide;prop-2-en-1-amine;hydrochloride.
What is the SMILES notation for N-methylprop-2-enamide;prop-2-en-1-amine;hydrochloride?
The canonical SMILES for N-methylprop-2-enamide;prop-2-en-1-amine;hydrochloride is C=CC(=O)NC.C=CCN.Cl.
What is the InChIKey of N-methylprop-2-enamide;prop-2-en-1-amine;hydrochloride?
The InChIKey is MJWPFUMROOTFDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7NO.C3H7N.ClH/c1-3-4(6)5-2;1-2-3-4;/h3H,1H2,2H3,(H,5,6);2H,1,3-4H2;1H.
What are the key properties of N-methylprop-2-enamide;prop-2-en-1-amine;hydrochloride?
N-methylprop-2-enamide;prop-2-en-1-amine;hydrochloride has a molecular weight of 178.66 g/mol, XLogP of 0.47, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylprop-2-enamide;prop-2-en-1-amine;hydrochloride is sourced from PubChem (CID 174712757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).