2-methylprop-2-enamide;trimethyl(propyl)azanium

C10H23N2O+ — CID 21478002

IUPAC2-methylprop-2-enamide;trimethyl(propyl)azanium
SMILESC=C(C)C(N)=O.CCC[N+](C)(C)C
InChIInChI=1S/C6H16N.C4H7NO/c1-5-6-7(2,3)4;1-3(2)4(5)6/h5-6H2,1-4H3;1H2,2H3,(H2,5,6)/q+1;
InChIKeyBVEFYGKIBZZLDU-UHFFFAOYSA-N
MW187.31 g/mol
LogP1.15
Rot. Bonds3

About 2-methylprop-2-enamide;trimethyl(propyl)azanium

2-methylprop-2-enamide;trimethyl(propyl)azanium (PubChem CID 21478002) has the molecular formula C10H23N2O+ and a molecular weight of 187.31 g/mol. Its IUPAC name is 2-methylprop-2-enamide;trimethyl(propyl)azanium.

Molecular Properties

Compound Name2-methylprop-2-enamide;trimethyl(propyl)azanium
PubChem CID21478002
Molecular FormulaC10H23N2O+
Molecular Weight187.31 g/mol
Exact Mass187.18
IUPAC Name2-methylprop-2-enamide;trimethyl(propyl)azanium
SMILESC=C(C)C(N)=O.CCC[N+](C)(C)C
InChIInChI=1S/C6H16N.C4H7NO/c1-5-6-7(2,3)4;1-3(2)4(5)6/h5-6H2,1-4H3;1H2,2H3,(H2,5,6)/q+1;
InChIKeyBVEFYGKIBZZLDU-UHFFFAOYSA-N
XLogP1.15
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.31
LogP ≤ 51.15
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'}

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Frequently Asked Questions

What is the IUPAC name of 2-methylprop-2-enamide;trimethyl(propyl)azanium?
The IUPAC name of 2-methylprop-2-enamide;trimethyl(propyl)azanium (CID 21478002) is 2-methylprop-2-enamide;trimethyl(propyl)azanium.
What is the SMILES notation for 2-methylprop-2-enamide;trimethyl(propyl)azanium?
The canonical SMILES for 2-methylprop-2-enamide;trimethyl(propyl)azanium is C=C(C)C(N)=O.CCC[N+](C)(C)C.
What is the InChIKey of 2-methylprop-2-enamide;trimethyl(propyl)azanium?
The InChIKey is BVEFYGKIBZZLDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16N.C4H7NO/c1-5-6-7(2,3)4;1-3(2)4(5)6/h5-6H2,1-4H3;1H2,2H3,(H2,5,6)/q+1;.
What are the key properties of 2-methylprop-2-enamide;trimethyl(propyl)azanium?
2-methylprop-2-enamide;trimethyl(propyl)azanium has a molecular weight of 187.31 g/mol, XLogP of 1.15, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylprop-2-enamide;trimethyl(propyl)azanium is sourced from PubChem (CID 21478002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).