acetyl-bis(prop-2-enyl)azanium

C8H14NO+ — CID 173290878

IUPACacetyl-bis(prop-2-enyl)azanium
SMILESC=CC[NH+](CC=C)C(C)=O
InChIInChI=1S/C8H13NO/c1-4-6-9(7-5-2)8(3)10/h4-5H,1-2,6-7H2,3H3/p+1
InChIKeyBGQJNGISTPIALH-UHFFFAOYSA-O
MW140.21 g/mol
LogP-0.21
Rot. Bonds4

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

acetyl-bis(prop-2-enyl)azanium (PubChem CID 173290878) has the molecular formula C8H14NO+ and a molecular weight of 140.21 g/mol. Its IUPAC name is acetyl-bis(prop-2-enyl)azanium.

Molecular Properties

Compound Nameacetyl-bis(prop-2-enyl)azanium
PubChem CID173290878
Molecular FormulaC8H14NO+
Molecular Weight140.21 g/mol
Exact Mass140.11
IUPAC Nameacetyl-bis(prop-2-enyl)azanium
SMILESC=CC[NH+](CC=C)C(C)=O
InChIInChI=1S/C8H13NO/c1-4-6-9(7-5-2)8(3)10/h4-5H,1-2,6-7H2,3H3/p+1
InChIKeyBGQJNGISTPIALH-UHFFFAOYSA-O
XLogP-0.21
TPSA21.51 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.21
LogP ≤ 5-0.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

tris(prop-2-enyl)azanium acetate
CID 87689086
carboxy-pentyl-prop-2-enylazanium
CID 173409911
but-3-en-2-one;hydrochloride
CID 172746503
tris(but-3-en-2-one);tungsten
CID 54606302
(213C)pent-4-en-2-one
CID 173180315
acetic acid;but-1-ene
CID 88520349
(E)-5-prop-2-enoxypent-3-en-2-one
CID 45085584
ethanethioic S-acid;prop-1-ene
CID 174856563
acetic acid;hexa-1,4-diene
CID 174398643
calcium;hydride;pent-4-en-2-one
CID 174750875
but-1-ene;bis(carbamothioic S-acid)
CID 87966489
propane;propan-2-one;prop-1-ene
CID 160807834

Frequently Asked Questions

What is the IUPAC name of acetyl-bis(prop-2-enyl)azanium?
The IUPAC name of acetyl-bis(prop-2-enyl)azanium (CID 173290878) is acetyl-bis(prop-2-enyl)azanium.
What is the SMILES notation for acetyl-bis(prop-2-enyl)azanium?
The canonical SMILES for acetyl-bis(prop-2-enyl)azanium is C=CC[NH+](CC=C)C(C)=O.
What is the InChIKey of acetyl-bis(prop-2-enyl)azanium?
The InChIKey is BGQJNGISTPIALH-UHFFFAOYSA-O. The full InChI is InChI=1S/C8H13NO/c1-4-6-9(7-5-2)8(3)10/h4-5H,1-2,6-7H2,3H3/p+1.
What are the key properties of acetyl-bis(prop-2-enyl)azanium?
acetyl-bis(prop-2-enyl)azanium has a molecular weight of 140.21 g/mol, XLogP of -0.21, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for acetyl-bis(prop-2-enyl)azanium is sourced from PubChem (CID 173290878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).