methyl-(prop-2-enoylamino)-propylazanium chloride

C7H15ClN2O — CID 23187779

IUPACmethyl-(prop-2-enoylamino)-propylazanium chloride
SMILESC=CC(=O)N[NH+](C)CCC.[Cl-]
InChIInChI=1S/C7H14N2O.ClH/c1-4-6-9(3)8-7(10)5-2;/h5H,2,4,6H2,1,3H3,(H,8,10);1H
InChIKeyIUOQZPQZPZGOEK-UHFFFAOYSA-N
MW178.66 g/mol
LogP-3.87
Rot. Bonds4

About methyl-(prop-2-enoylamino)-propylazanium chloride

methyl-(prop-2-enoylamino)-propylazanium chloride (PubChem CID 23187779) has the molecular formula C7H15ClN2O and a molecular weight of 178.66 g/mol. Its IUPAC name is methyl-(prop-2-enoylamino)-propylazanium chloride.

Molecular Properties

Compound Namemethyl-(prop-2-enoylamino)-propylazanium chloride
PubChem CID23187779
Molecular FormulaC7H15ClN2O
Molecular Weight178.66 g/mol
Exact Mass178.09
IUPAC Namemethyl-(prop-2-enoylamino)-propylazanium chloride
SMILESC=CC(=O)N[NH+](C)CCC.[Cl-]
InChIInChI=1S/C7H14N2O.ClH/c1-4-6-9(3)8-7(10)5-2;/h5H,2,4,6H2,1,3H3,(H,8,10);1H
InChIKeyIUOQZPQZPZGOEK-UHFFFAOYSA-N
XLogP-3.87
TPSA33.54 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.66
LogP ≤ 5-3.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Einecs 265-780-9
CID 6455141
Methyl-(prop-2-enoylamino)azanium chloride
CID 19086392
N'-methylprop-2-enehydrazide
CID 19086393
Trimethyl-(prop-2-enoylamino)azanium chloride
CID 19598172
Trimethyl-(prop-2-enoylamino)azanium
CID 19598173
(Prop-2-enoylamino)-propylazanium chloride
CID 21744838
N'-propylprop-2-enehydrazide
CID 21744839
N',N'-dimethylprop-2-enehydrazide
CID 22020427
N'-ethylprop-2-enehydrazide
CID 22590851
N,N'-dimethylprop-2-enehydrazide
CID 23183837
N'-methyl-N'-propylprop-2-enehydrazide
CID 23187780
N'-butylprop-2-enehydrazide
CID 23500143

Frequently Asked Questions

What is the IUPAC name of methyl-(prop-2-enoylamino)-propylazanium chloride?
The IUPAC name of methyl-(prop-2-enoylamino)-propylazanium chloride (CID 23187779) is methyl-(prop-2-enoylamino)-propylazanium chloride.
What is the SMILES notation for methyl-(prop-2-enoylamino)-propylazanium chloride?
The canonical SMILES for methyl-(prop-2-enoylamino)-propylazanium chloride is C=CC(=O)N[NH+](C)CCC.[Cl-].
What is the InChIKey of methyl-(prop-2-enoylamino)-propylazanium chloride?
The InChIKey is IUOQZPQZPZGOEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O.ClH/c1-4-6-9(3)8-7(10)5-2;/h5H,2,4,6H2,1,3H3,(H,8,10);1H.
What are the key properties of methyl-(prop-2-enoylamino)-propylazanium chloride?
methyl-(prop-2-enoylamino)-propylazanium chloride has a molecular weight of 178.66 g/mol, XLogP of -3.87, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-(prop-2-enoylamino)-propylazanium chloride is sourced from PubChem (CID 23187779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).