2-methylprop-2-enoylazanium

C4H8NO+ — CID 19433350

IUPAC2-methylprop-2-enoylazanium
SMILESC=C(C)C([NH3+])=O
InChIInChI=1S/C4H7NO/c1-3(2)4(5)6/h1H2,2H3,(H2,5,6)/p+1
InChIKeyFQPSGWSUVKBHSU-UHFFFAOYSA-O
MW86.11 g/mol
LogP-0.67
Rot. Bonds1

About 2-methylprop-2-enoylazanium

2-methylprop-2-enoylazanium (PubChem CID 19433350) has the molecular formula C4H8NO+ and a molecular weight of 86.11 g/mol. Its IUPAC name is 2-methylprop-2-enoylazanium.

Molecular Properties

Compound Name2-methylprop-2-enoylazanium
PubChem CID19433350
Molecular FormulaC4H8NO+
Molecular Weight86.11 g/mol
Exact Mass86.06
IUPAC Name2-methylprop-2-enoylazanium
SMILESC=C(C)C([NH3+])=O
InChIInChI=1S/C4H7NO/c1-3(2)4(5)6/h1H2,2H3,(H2,5,6)/p+1
InChIKeyFQPSGWSUVKBHSU-UHFFFAOYSA-O
XLogP-0.67
TPSA44.71 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50086.11
LogP ≤ 5-0.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methylprop-2-enoylazanium?
The IUPAC name of 2-methylprop-2-enoylazanium (CID 19433350) is 2-methylprop-2-enoylazanium.
What is the SMILES notation for 2-methylprop-2-enoylazanium?
The canonical SMILES for 2-methylprop-2-enoylazanium is C=C(C)C([NH3+])=O.
What is the InChIKey of 2-methylprop-2-enoylazanium?
The InChIKey is FQPSGWSUVKBHSU-UHFFFAOYSA-O. The full InChI is InChI=1S/C4H7NO/c1-3(2)4(5)6/h1H2,2H3,(H2,5,6)/p+1.
What are the key properties of 2-methylprop-2-enoylazanium?
2-methylprop-2-enoylazanium has a molecular weight of 86.11 g/mol, XLogP of -0.67, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylprop-2-enoylazanium is sourced from PubChem (CID 19433350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).