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

C10H19N2O+ — CID 57048838

IUPACmethyl-(propanoylamino)-bis(prop-2-enyl)azanium
SMILESC=CC[N+](C)(CC=C)NC(=O)CC
InChIInChI=1S/C10H18N2O/c1-5-8-12(4,9-6-2)11-10(13)7-3/h5-6H,1-2,7-9H2,3-4H3/p+1
InChIKeyPIKVFJCAIMSFEA-UHFFFAOYSA-O
MW183.27 g/mol
LogP1.25
Rot. Bonds6

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

methyl-(propanoylamino)-bis(prop-2-enyl)azanium (PubChem CID 57048838) has the molecular formula C10H19N2O+ and a molecular weight of 183.27 g/mol. Its IUPAC name is methyl-(propanoylamino)-bis(prop-2-enyl)azanium.

Molecular Properties

Compound Namemethyl-(propanoylamino)-bis(prop-2-enyl)azanium
PubChem CID57048838
Molecular FormulaC10H19N2O+
Molecular Weight183.27 g/mol
Exact Mass183.15
IUPAC Namemethyl-(propanoylamino)-bis(prop-2-enyl)azanium
SMILESC=CC[N+](C)(CC=C)NC(=O)CC
InChIInChI=1S/C10H18N2O/c1-5-8-12(4,9-6-2)11-10(13)7-3/h5-6H,1-2,7-9H2,3-4H3/p+1
InChIKeyPIKVFJCAIMSFEA-UHFFFAOYSA-O
XLogP1.25
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.27
LogP ≤ 51.25
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
Triethyl-(2-methylprop-2-enoylamino)azanium
CID 19788941
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
Ethyl-dimethyl-(prop-2-enoylamino)azanium
CID 54552793
N',N'-diethylprop-2-enehydrazide
CID 58945457
Methyl-(propanoylamino)-bis(prop-2-enyl)azanium chloride
CID 87078330
(2-Methylprop-2-enoylamino)-tris(prop-2-enyl)azanium chloride
CID 87091955
3-amino-N-ethyl-N'-prop-2-enylpropanehydrazide
CID 87500010

Frequently Asked Questions

What is the IUPAC name of methyl-(propanoylamino)-bis(prop-2-enyl)azanium?
The IUPAC name of methyl-(propanoylamino)-bis(prop-2-enyl)azanium (CID 57048838) is methyl-(propanoylamino)-bis(prop-2-enyl)azanium.
What is the SMILES notation for methyl-(propanoylamino)-bis(prop-2-enyl)azanium?
The canonical SMILES for methyl-(propanoylamino)-bis(prop-2-enyl)azanium is C=CC[N+](C)(CC=C)NC(=O)CC.
What is the InChIKey of methyl-(propanoylamino)-bis(prop-2-enyl)azanium?
The InChIKey is PIKVFJCAIMSFEA-UHFFFAOYSA-O. The full InChI is InChI=1S/C10H18N2O/c1-5-8-12(4,9-6-2)11-10(13)7-3/h5-6H,1-2,7-9H2,3-4H3/p+1.
What are the key properties of methyl-(propanoylamino)-bis(prop-2-enyl)azanium?
methyl-(propanoylamino)-bis(prop-2-enyl)azanium has a molecular weight of 183.27 g/mol, XLogP of 1.25, 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 is sourced from PubChem (CID 57048838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).