diacetamido-bis(prop-2-enyl)azanium

C10H18N3O2+ — CID 176837822

IUPACdiacetamido-bis(prop-2-enyl)azanium
SMILESC=CC[N+](CC=C)(NC(C)=O)NC(C)=O
InChIInChI=1S/C10H17N3O2/c1-5-7-13(8-6-2,11-9(3)14)12-10(4)15/h5-6H,1-2,7-8H2,3-4H3,(H-,11,12,14,15)/p+1
InChIKeyNLQFRAOAFYCLTO-UHFFFAOYSA-O
MW212.27 g/mol
LogP0.28
Rot. Bonds6

About diacetamido-bis(prop-2-enyl)azanium

diacetamido-bis(prop-2-enyl)azanium (PubChem CID 176837822) has the molecular formula C10H18N3O2+ and a molecular weight of 212.27 g/mol. Its IUPAC name is diacetamido-bis(prop-2-enyl)azanium.

Molecular Properties

Compound Namediacetamido-bis(prop-2-enyl)azanium
PubChem CID176837822
Molecular FormulaC10H18N3O2+
Molecular Weight212.27 g/mol
Exact Mass212.14
IUPAC Namediacetamido-bis(prop-2-enyl)azanium
SMILESC=CC[N+](CC=C)(NC(C)=O)NC(C)=O
InChIInChI=1S/C10H17N3O2/c1-5-7-13(8-6-2,11-9(3)14)12-10(4)15/h5-6H,1-2,7-8H2,3-4H3,(H-,11,12,14,15)/p+1
InChIKeyNLQFRAOAFYCLTO-UHFFFAOYSA-O
XLogP0.28
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.27
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

acetamido-dimethyl-prop-2-enylazanium chloride
CID 21429946
bis(2-oxopropyl)-bis(prop-2-enyl)azanium
CID 139964451
carbonic acid;trimethyl(prop-2-enyl)azanium
CID 174635433
propane;propan-2-one;prop-1-ene
CID 160807834
N-(1-acetamidobut-3-enyl)acetamide
CID 88635946
N-methylbut-3-enamide
CID 13113546
(213C)pent-4-en-2-one
CID 173180315
acetic acid;but-1-ene
CID 88520349
dimethyl-bis(prop-2-enyl)azanium;2,2-dimethylpropanoic acid
CID 87375261
2-[dimethyl(prop-2-enyl)azaniumyl]acetate
CID 87969479
N-(2-methylpent-4-en-2-yl)acetamide
CID 54506762
prop-2-enamide;trimethyl(prop-2-enyl)azanium;chloride
CID 174934724

Frequently Asked Questions

What is the IUPAC name of diacetamido-bis(prop-2-enyl)azanium?
The IUPAC name of diacetamido-bis(prop-2-enyl)azanium (CID 176837822) is diacetamido-bis(prop-2-enyl)azanium.
What is the SMILES notation for diacetamido-bis(prop-2-enyl)azanium?
The canonical SMILES for diacetamido-bis(prop-2-enyl)azanium is C=CC[N+](CC=C)(NC(C)=O)NC(C)=O.
What is the InChIKey of diacetamido-bis(prop-2-enyl)azanium?
The InChIKey is NLQFRAOAFYCLTO-UHFFFAOYSA-O. The full InChI is InChI=1S/C10H17N3O2/c1-5-7-13(8-6-2,11-9(3)14)12-10(4)15/h5-6H,1-2,7-8H2,3-4H3,(H-,11,12,14,15)/p+1.
What are the key properties of diacetamido-bis(prop-2-enyl)azanium?
diacetamido-bis(prop-2-enyl)azanium has a molecular weight of 212.27 g/mol, XLogP of 0.28, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for diacetamido-bis(prop-2-enyl)azanium is sourced from PubChem (CID 176837822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).