trimethyl(prop-2-enoyl)azanium chloride

C6H12ClNO — CID 6455684

IUPACtrimethyl(prop-2-enoyl)azanium chloride
SMILESC=CC(=O)[N+](C)(C)C.[Cl-]
InChIInChI=1S/C6H12NO.ClH/c1-5-6(8)7(2,3)4;/h5H,1H2,2-4H3;1H/q+1;/p-1
InChIKeyCHBOCDMFTQKMTN-UHFFFAOYSA-M
MW149.62 g/mol
LogP-2.59
Rot. Bonds1

About trimethyl(prop-2-enoyl)azanium chloride

trimethyl(prop-2-enoyl)azanium chloride (PubChem CID 6455684) has the molecular formula C6H12ClNO and a molecular weight of 149.62 g/mol. Its IUPAC name is trimethyl(prop-2-enoyl)azanium chloride.

Molecular Properties

Compound Nametrimethyl(prop-2-enoyl)azanium chloride
PubChem CID6455684
Molecular FormulaC6H12ClNO
Molecular Weight149.62 g/mol
Exact Mass149.06
IUPAC Nametrimethyl(prop-2-enoyl)azanium chloride
SMILESC=CC(=O)[N+](C)(C)C.[Cl-]
InChIInChI=1S/C6H12NO.ClH/c1-5-6(8)7(2,3)4;/h5H,1H2,2-4H3;1H/q+1;/p-1
InChIKeyCHBOCDMFTQKMTN-UHFFFAOYSA-M
XLogP-2.59
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.62
LogP ≤ 5-2.59
H-Bond Donors ≤ 50
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 trimethyl(prop-2-enoyl)azanium chloride?
The IUPAC name of trimethyl(prop-2-enoyl)azanium chloride (CID 6455684) is trimethyl(prop-2-enoyl)azanium chloride.
What is the SMILES notation for trimethyl(prop-2-enoyl)azanium chloride?
The canonical SMILES for trimethyl(prop-2-enoyl)azanium chloride is C=CC(=O)[N+](C)(C)C.[Cl-].
What is the InChIKey of trimethyl(prop-2-enoyl)azanium chloride?
The InChIKey is CHBOCDMFTQKMTN-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H12NO.ClH/c1-5-6(8)7(2,3)4;/h5H,1H2,2-4H3;1H/q+1;/p-1.
What are the key properties of trimethyl(prop-2-enoyl)azanium chloride?
trimethyl(prop-2-enoyl)azanium chloride has a molecular weight of 149.62 g/mol, XLogP of -2.59, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl(prop-2-enoyl)azanium chloride is sourced from PubChem (CID 6455684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).