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'}

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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).