2-carbamoylprop-2-enyl(trimethyl)azanium

C7H15N2O+ — CID 18760411

IUPAC2-carbamoylprop-2-enyl(trimethyl)azanium
SMILESC=C(C[N+](C)(C)C)C(N)=O
InChIInChI=1S/C7H14N2O/c1-6(7(8)10)5-9(2,3)4/h1,5H2,2-4H3,(H-,8,10)/p+1
InChIKeyHSCOHGYPENTYHG-UHFFFAOYSA-O
MW143.21 g/mol
LogP-0.27
Rot. Bonds3

About 2-carbamoylprop-2-enyl(trimethyl)azanium

2-carbamoylprop-2-enyl(trimethyl)azanium (PubChem CID 18760411) has the molecular formula C7H15N2O+ and a molecular weight of 143.21 g/mol. Its IUPAC name is 2-carbamoylprop-2-enyl(trimethyl)azanium.

Molecular Properties

Compound Name2-carbamoylprop-2-enyl(trimethyl)azanium
PubChem CID18760411
Molecular FormulaC7H15N2O+
Molecular Weight143.21 g/mol
Exact Mass143.12
IUPAC Name2-carbamoylprop-2-enyl(trimethyl)azanium
SMILESC=C(C[N+](C)(C)C)C(N)=O
InChIInChI=1S/C7H14N2O/c1-6(7(8)10)5-9(2,3)4/h1,5H2,2-4H3,(H-,8,10)/p+1
InChIKeyHSCOHGYPENTYHG-UHFFFAOYSA-O
XLogP-0.27
TPSA43.09 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 ≤ 5-0.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Analyze 2-carbamoylprop-2-enyl(trimethyl)azanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-carbamoylprop-2-enyl(trimethyl)azanium?
The IUPAC name of 2-carbamoylprop-2-enyl(trimethyl)azanium (CID 18760411) is 2-carbamoylprop-2-enyl(trimethyl)azanium.
What is the SMILES notation for 2-carbamoylprop-2-enyl(trimethyl)azanium?
The canonical SMILES for 2-carbamoylprop-2-enyl(trimethyl)azanium is C=C(C[N+](C)(C)C)C(N)=O.
What is the InChIKey of 2-carbamoylprop-2-enyl(trimethyl)azanium?
The InChIKey is HSCOHGYPENTYHG-UHFFFAOYSA-O. The full InChI is InChI=1S/C7H14N2O/c1-6(7(8)10)5-9(2,3)4/h1,5H2,2-4H3,(H-,8,10)/p+1.
What are the key properties of 2-carbamoylprop-2-enyl(trimethyl)azanium?
2-carbamoylprop-2-enyl(trimethyl)azanium has a molecular weight of 143.21 g/mol, XLogP of -0.27, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-carbamoylprop-2-enyl(trimethyl)azanium is sourced from PubChem (CID 18760411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).