carbonic acid;trimethyl(prop-2-enyl)azanium

C7H16NO3+ — CID 174635433

IUPACcarbonic acid;trimethyl(prop-2-enyl)azanium
SMILESC=CC[N+](C)(C)C.O=C(O)O
InChIInChI=1S/C6H14N.CH2O3/c1-5-6-7(2,3)4;2-1(3)4/h5H,1,6H2,2-4H3;(H2,2,3,4)/q+1;
InChIKeyVNQGNVCEFJEOLV-UHFFFAOYSA-N
MW162.21 g/mol
LogP1.10
Rot. Bonds2

About carbonic acid;trimethyl(prop-2-enyl)azanium

carbonic acid;trimethyl(prop-2-enyl)azanium (PubChem CID 174635433) has the molecular formula C7H16NO3+ and a molecular weight of 162.21 g/mol. Its IUPAC name is carbonic acid;trimethyl(prop-2-enyl)azanium.

Molecular Properties

Compound Namecarbonic acid;trimethyl(prop-2-enyl)azanium
PubChem CID174635433
Molecular FormulaC7H16NO3+
Molecular Weight162.21 g/mol
Exact Mass162.11
IUPAC Namecarbonic acid;trimethyl(prop-2-enyl)azanium
SMILESC=CC[N+](C)(C)C.O=C(O)O
InChIInChI=1S/C6H14N.CH2O3/c1-5-6-7(2,3)4;2-1(3)4/h5H,1,6H2,2-4H3;(H2,2,3,4)/q+1;
InChIKeyVNQGNVCEFJEOLV-UHFFFAOYSA-N
XLogP1.10
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.21
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze carbonic acid;trimethyl(prop-2-enyl)azanium with MolForge

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

Launch Full Analysis

Related Compounds

trimethyl(prop-2-enyl)azanium;dihydrochloride
CID 174494481
prop-2-enamide;trimethyl(prop-2-enyl)azanium;chloride
CID 174934724
sulfuric acid;trimethyl(prop-2-enyl)azanium;chloride
CID 175609144
ethenylphosphonic acid;trimethyl(prop-2-enyl)azanium
CID 87909379
azane;trimethyl(prop-2-enyl)azanium;bromide;hydrobromide
CID 174829617
trimethyl(prop-2-enyl)azanium nitrite
CID 87073943
2-carboxyphenolate;trimethyl(prop-2-enyl)azanium
CID 70450706
dimethyl-bis(prop-2-enyl)azanium;2,2-dimethylpropanoic acid
CID 87375261
3-carboxypropyl-methyl-bis(prop-2-enyl)azanium
CID 87275045
4-methylbenzenesulfonic acid;trimethyl(prop-2-enyl)azanium
CID 6713455
2-[dimethyl(prop-2-enyl)azaniumyl]acetate
CID 87969479
1-carboxyethyl-(1-hydroxyethyl)-methyl-prop-2-enylazanium
CID 175249819

Frequently Asked Questions

What is the IUPAC name of carbonic acid;trimethyl(prop-2-enyl)azanium?
The IUPAC name of carbonic acid;trimethyl(prop-2-enyl)azanium (CID 174635433) is carbonic acid;trimethyl(prop-2-enyl)azanium.
What is the SMILES notation for carbonic acid;trimethyl(prop-2-enyl)azanium?
The canonical SMILES for carbonic acid;trimethyl(prop-2-enyl)azanium is C=CC[N+](C)(C)C.O=C(O)O.
What is the InChIKey of carbonic acid;trimethyl(prop-2-enyl)azanium?
The InChIKey is VNQGNVCEFJEOLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N.CH2O3/c1-5-6-7(2,3)4;2-1(3)4/h5H,1,6H2,2-4H3;(H2,2,3,4)/q+1;.
What are the key properties of carbonic acid;trimethyl(prop-2-enyl)azanium?
carbonic acid;trimethyl(prop-2-enyl)azanium has a molecular weight of 162.21 g/mol, XLogP of 1.10, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for carbonic acid;trimethyl(prop-2-enyl)azanium is sourced from PubChem (CID 174635433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).