methyl-(propanoylamino)-bis(prop-2-enyl)azanium chloride

C10H19ClN2O — CID 87078330

IUPACmethyl-(propanoylamino)-bis(prop-2-enyl)azanium chloride
SMILESC=CC[N+](C)(CC=C)NC(=O)CC.[Cl-]
InChIInChI=1S/C10H18N2O.ClH/c1-5-8-12(4,9-6-2)11-10(13)7-3;/h5-6H,1-2,7-9H2,3-4H3;1H
InChIKeyQDGXBFJPDCKUSH-UHFFFAOYSA-N
MW218.73 g/mol
LogP-1.75
Rot. Bonds6

About methyl-(propanoylamino)-bis(prop-2-enyl)azanium chloride

methyl-(propanoylamino)-bis(prop-2-enyl)azanium chloride (PubChem CID 87078330) has the molecular formula C10H19ClN2O and a molecular weight of 218.73 g/mol. Its IUPAC name is methyl-(propanoylamino)-bis(prop-2-enyl)azanium chloride.

Molecular Properties

Compound Namemethyl-(propanoylamino)-bis(prop-2-enyl)azanium chloride
PubChem CID87078330
Molecular FormulaC10H19ClN2O
Molecular Weight218.73 g/mol
Exact Mass218.12
IUPAC Namemethyl-(propanoylamino)-bis(prop-2-enyl)azanium chloride
SMILESC=CC[N+](C)(CC=C)NC(=O)CC.[Cl-]
InChIInChI=1S/C10H18N2O.ClH/c1-5-8-12(4,9-6-2)11-10(13)7-3;/h5-6H,1-2,7-9H2,3-4H3;1H
InChIKeyQDGXBFJPDCKUSH-UHFFFAOYSA-N
XLogP-1.75
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.73
LogP ≤ 5-1.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

N,N-diallyl-N'-acetylhydrazine
CID 12113025
N',N'-Diallylbutanehydrazide
CID 45119356
N',N'-bis(prop-2-enyl)propanehydrazide
CID 20437800
Acetamido-dimethyl-prop-2-enylazanium chloride
CID 21429946
2-methyl-N',N'-bis(prop-2-enyl)propanehydrazide
CID 53779932
Dimethyl-(prop-2-enoylamino)-propylazanium
CID 54001668
Methyl-(propanoylamino)-bis(prop-2-enyl)azanium
CID 57048838
(2-Methylprop-2-enoylamino)-tris(prop-2-enyl)azanium chloride
CID 87091955
Ethyl-dimethyl-(prop-2-enoylamino)azanium chloride
CID 87455336
2-methyl-N',N'-bis(prop-2-enyl)prop-2-enehydrazide
CID 87838525
Dimethyl-(prop-2-enoylamino)-propylazanium chloride
CID 87842556
Diethyl-(prop-2-enoylamino)-propylazanium
CID 87994834

Frequently Asked Questions

What is the IUPAC name of methyl-(propanoylamino)-bis(prop-2-enyl)azanium chloride?
The IUPAC name of methyl-(propanoylamino)-bis(prop-2-enyl)azanium chloride (CID 87078330) is methyl-(propanoylamino)-bis(prop-2-enyl)azanium chloride.
What is the SMILES notation for methyl-(propanoylamino)-bis(prop-2-enyl)azanium chloride?
The canonical SMILES for methyl-(propanoylamino)-bis(prop-2-enyl)azanium chloride is C=CC[N+](C)(CC=C)NC(=O)CC.[Cl-].
What is the InChIKey of methyl-(propanoylamino)-bis(prop-2-enyl)azanium chloride?
The InChIKey is QDGXBFJPDCKUSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O.ClH/c1-5-8-12(4,9-6-2)11-10(13)7-3;/h5-6H,1-2,7-9H2,3-4H3;1H.
What are the key properties of methyl-(propanoylamino)-bis(prop-2-enyl)azanium chloride?
methyl-(propanoylamino)-bis(prop-2-enyl)azanium chloride has a molecular weight of 218.73 g/mol, XLogP of -1.75, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-(propanoylamino)-bis(prop-2-enyl)azanium chloride is sourced from PubChem (CID 87078330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).