bis(2-oxopropyl)-bis(prop-2-enyl)azanium

C12H20NO2+ — CID 139964451

IUPACbis(2-oxopropyl)-bis(prop-2-enyl)azanium
SMILESC=CC[N+](CC=C)(CC(C)=O)CC(C)=O
InChIInChI=1S/C12H20NO2/c1-5-7-13(8-6-2,9-11(3)14)10-12(4)15/h5-6H,1-2,7-10H2,3-4H3/q+1
InChIKeyBAEFRAKHRXINHK-UHFFFAOYSA-N
MW210.30 g/mol
LogP1.35
Rot. Bonds8

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

bis(2-oxopropyl)-bis(prop-2-enyl)azanium (PubChem CID 139964451) has the molecular formula C12H20NO2+ and a molecular weight of 210.30 g/mol. Its IUPAC name is bis(2-oxopropyl)-bis(prop-2-enyl)azanium.

Molecular Properties

Compound Namebis(2-oxopropyl)-bis(prop-2-enyl)azanium
PubChem CID139964451
Molecular FormulaC12H20NO2+
Molecular Weight210.30 g/mol
Exact Mass210.15
IUPAC Namebis(2-oxopropyl)-bis(prop-2-enyl)azanium
SMILESC=CC[N+](CC=C)(CC(C)=O)CC(C)=O
InChIInChI=1S/C12H20NO2/c1-5-7-13(8-6-2,9-11(3)14)10-12(4)15/h5-6H,1-2,7-10H2,3-4H3/q+1
InChIKeyBAEFRAKHRXINHK-UHFFFAOYSA-N
XLogP1.35
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.30
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

sulfane;tetrakis(prop-2-enyl)azanium
CID 174809251
tetrakis(prop-2-enyl)azanium chloride
CID 11264347
hydron;tetrakis(prop-2-enyl)azanium
CID 87913836
but-1-ene;tetrakis(prop-2-enyl)azanium
CID 174931498
(213C)pent-4-en-2-one
CID 173180315
diacetamido-bis(prop-2-enyl)azanium
CID 176837822
carbonic acid;trimethyl(prop-2-enyl)azanium
CID 174635433
but-3-enoate;triethyl(prop-2-enyl)azanium
CID 174488923
carboxymethyl-bis(prop-2-enyl)-undecylazanium
CID 101084862
hydron;tetrakis(prop-2-enyl)azanium;hydrate
CID 174431949
indium(3+);tetrakis(prop-2-enyl)azanium;tetrachloride
CID 174555919
2-[dimethyl(prop-2-enyl)azaniumyl]acetate
CID 87969479

Frequently Asked Questions

What is the IUPAC name of bis(2-oxopropyl)-bis(prop-2-enyl)azanium?
The IUPAC name of bis(2-oxopropyl)-bis(prop-2-enyl)azanium (CID 139964451) is bis(2-oxopropyl)-bis(prop-2-enyl)azanium.
What is the SMILES notation for bis(2-oxopropyl)-bis(prop-2-enyl)azanium?
The canonical SMILES for bis(2-oxopropyl)-bis(prop-2-enyl)azanium is C=CC[N+](CC=C)(CC(C)=O)CC(C)=O.
What is the InChIKey of bis(2-oxopropyl)-bis(prop-2-enyl)azanium?
The InChIKey is BAEFRAKHRXINHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20NO2/c1-5-7-13(8-6-2,9-11(3)14)10-12(4)15/h5-6H,1-2,7-10H2,3-4H3/q+1.
What are the key properties of bis(2-oxopropyl)-bis(prop-2-enyl)azanium?
bis(2-oxopropyl)-bis(prop-2-enyl)azanium has a molecular weight of 210.30 g/mol, XLogP of 1.35, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-oxopropyl)-bis(prop-2-enyl)azanium is sourced from PubChem (CID 139964451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).