butyl(trimethyl)azanium;prop-2-enamide;chloride

C10H23ClN2O — CID 23072310

IUPACbutyl(trimethyl)azanium;prop-2-enamide;chloride
SMILESC=CC(N)=O.CCCC[N+](C)(C)C.[Cl-]
InChIInChI=1S/C7H18N.C3H5NO.ClH/c1-5-6-7-8(2,3)4;1-2-3(4)5;/h5-7H2,1-4H3;2H,1H2,(H2,4,5);1H/q+1;;/p-1
InChIKeyRQYKSFBRZLDNOA-UHFFFAOYSA-M
MW222.76 g/mol
LogP-1.85
Rot. Bonds4

About butyl(trimethyl)azanium;prop-2-enamide;chloride

butyl(trimethyl)azanium;prop-2-enamide;chloride (PubChem CID 23072310) has the molecular formula C10H23ClN2O and a molecular weight of 222.76 g/mol. Its IUPAC name is butyl(trimethyl)azanium;prop-2-enamide;chloride.

Molecular Properties

Compound Namebutyl(trimethyl)azanium;prop-2-enamide;chloride
PubChem CID23072310
Molecular FormulaC10H23ClN2O
Molecular Weight222.76 g/mol
Exact Mass222.15
IUPAC Namebutyl(trimethyl)azanium;prop-2-enamide;chloride
SMILESC=CC(N)=O.CCCC[N+](C)(C)C.[Cl-]
InChIInChI=1S/C7H18N.C3H5NO.ClH/c1-5-6-7-8(2,3)4;1-2-3(4)5;/h5-7H2,1-4H3;2H,1H2,(H2,4,5);1H/q+1;;/p-1
InChIKeyRQYKSFBRZLDNOA-UHFFFAOYSA-M
XLogP-1.85
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.76
LogP ≤ 5-1.85
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 butyl(trimethyl)azanium;prop-2-enamide;chloride?
The IUPAC name of butyl(trimethyl)azanium;prop-2-enamide;chloride (CID 23072310) is butyl(trimethyl)azanium;prop-2-enamide;chloride.
What is the SMILES notation for butyl(trimethyl)azanium;prop-2-enamide;chloride?
The canonical SMILES for butyl(trimethyl)azanium;prop-2-enamide;chloride is C=CC(N)=O.CCCC[N+](C)(C)C.[Cl-].
What is the InChIKey of butyl(trimethyl)azanium;prop-2-enamide;chloride?
The InChIKey is RQYKSFBRZLDNOA-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H18N.C3H5NO.ClH/c1-5-6-7-8(2,3)4;1-2-3(4)5;/h5-7H2,1-4H3;2H,1H2,(H2,4,5);1H/q+1;;/p-1.
What are the key properties of butyl(trimethyl)azanium;prop-2-enamide;chloride?
butyl(trimethyl)azanium;prop-2-enamide;chloride has a molecular weight of 222.76 g/mol, XLogP of -1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for butyl(trimethyl)azanium;prop-2-enamide;chloride is sourced from PubChem (CID 23072310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).