ethyl-dimethyl-(prop-2-enoylamino)azanium

C7H15N2O+ — CID 54552793

IUPACethyl-dimethyl-(prop-2-enoylamino)azanium
SMILESC=CC(=O)N[N+](C)(C)CC
InChIInChI=1S/C7H14N2O/c1-5-7(10)8-9(3,4)6-2/h5H,1,6H2,2-4H3/p+1
InChIKeyZLCBHLIAQYJJCG-UHFFFAOYSA-O
MW143.21 g/mol
LogP0.30
Rot. Bonds3

About ethyl-dimethyl-(prop-2-enoylamino)azanium

ethyl-dimethyl-(prop-2-enoylamino)azanium (PubChem CID 54552793) has the molecular formula C7H15N2O+ and a molecular weight of 143.21 g/mol. Its IUPAC name is ethyl-dimethyl-(prop-2-enoylamino)azanium.

Molecular Properties

Compound Nameethyl-dimethyl-(prop-2-enoylamino)azanium
PubChem CID54552793
Molecular FormulaC7H15N2O+
Molecular Weight143.21 g/mol
Exact Mass143.12
IUPAC Nameethyl-dimethyl-(prop-2-enoylamino)azanium
SMILESC=CC(=O)N[N+](C)(C)CC
InChIInChI=1S/C7H14N2O/c1-5-7(10)8-9(3,4)6-2/h5H,1,6H2,2-4H3/p+1
InChIKeyZLCBHLIAQYJJCG-UHFFFAOYSA-O
XLogP0.30
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.21
LogP ≤ 50.30
H-Bond Donors ≤ 51
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'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

1-methyl-1H-pyrazol-3-ol
CID 11423563
1-ethyl-1H-pyrazol-3-ol
CID 10931394
N,N-diallyl-N'-acetylhydrazine
CID 12113025
Crotonic 2,2-dimethylhydrazide
CID 21704825
N-(4-methylpiperazin-1-yl)prop-2-enamide
CID 13628884
Dimethyl-(3-methylbutyl)-(prop-2-enoylamino)azanium
CID 18618000
N'-methylprop-2-enehydrazide
CID 19086393
Trimethyl-(prop-2-enoylamino)azanium chloride
CID 19598172
Trimethyl-(prop-2-enoylamino)azanium
CID 19598173
Acetamido-dimethyl-prop-2-enylazanium chloride
CID 21429946
(Prop-2-enoylamino)-propylazanium chloride
CID 21744838
N'-propylprop-2-enehydrazide
CID 21744839

Frequently Asked Questions

What is the IUPAC name of ethyl-dimethyl-(prop-2-enoylamino)azanium?
The IUPAC name of ethyl-dimethyl-(prop-2-enoylamino)azanium (CID 54552793) is ethyl-dimethyl-(prop-2-enoylamino)azanium.
What is the SMILES notation for ethyl-dimethyl-(prop-2-enoylamino)azanium?
The canonical SMILES for ethyl-dimethyl-(prop-2-enoylamino)azanium is C=CC(=O)N[N+](C)(C)CC.
What is the InChIKey of ethyl-dimethyl-(prop-2-enoylamino)azanium?
The InChIKey is ZLCBHLIAQYJJCG-UHFFFAOYSA-O. The full InChI is InChI=1S/C7H14N2O/c1-5-7(10)8-9(3,4)6-2/h5H,1,6H2,2-4H3/p+1.
What are the key properties of ethyl-dimethyl-(prop-2-enoylamino)azanium?
ethyl-dimethyl-(prop-2-enoylamino)azanium has a molecular weight of 143.21 g/mol, XLogP of 0.30, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl-dimethyl-(prop-2-enoylamino)azanium is sourced from PubChem (CID 54552793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).