1-carboxyprop-2-enyl(trimethyl)azanium

C7H14NO2+ — CID 22239387

IUPAC1-carboxyprop-2-enyl(trimethyl)azanium
SMILESC=CC(C(=O)O)[N+](C)(C)C
InChIInChI=1S/C7H13NO2/c1-5-6(7(9)10)8(2,3)4/h5-6H,1H2,2-4H3/p+1
InChIKeyLLQCQNNCUFRCIW-UHFFFAOYSA-O
MW144.19 g/mol
LogP0.33
Rot. Bonds3

About 1-carboxyprop-2-enyl(trimethyl)azanium

1-carboxyprop-2-enyl(trimethyl)azanium (PubChem CID 22239387) has the molecular formula C7H14NO2+ and a molecular weight of 144.19 g/mol. Its IUPAC name is 1-carboxyprop-2-enyl(trimethyl)azanium.

Molecular Properties

Compound Name1-carboxyprop-2-enyl(trimethyl)azanium
PubChem CID22239387
Molecular FormulaC7H14NO2+
Molecular Weight144.19 g/mol
Exact Mass144.10
IUPAC Name1-carboxyprop-2-enyl(trimethyl)azanium
SMILESC=CC(C(=O)O)[N+](C)(C)C
InChIInChI=1S/C7H13NO2/c1-5-6(7(9)10)8(2,3)4/h5-6H,1H2,2-4H3/p+1
InChIKeyLLQCQNNCUFRCIW-UHFFFAOYSA-O
XLogP0.33
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.19
LogP ≤ 50.33
H-Bond Donors ≤ 51
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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Related Compounds

2-dimethylsilyloxybut-3-enoic acid
CID 154503228
2-[(2R)-but-3-en-2-yl]propanedioic acid
CID 87149049
2-dimethylsilylbut-3-enoic acid
CID 151998152
(2R,3S)-3-tert-butyl-2-fluoropent-4-enoic acid
CID 102124540
(2R,3R)-3-tert-butyl-2-fluoropent-4-enoic acid
CID 102124542
2,3-dihydroxybutanedioic acid;prop-1-ene
CID 172844787
trimethyl(3-oxopent-4-en-2-yl)azanium chloride
CID 19359069
2-(carboxymethyl)but-3-enyl-trimethylazanium
CID 91397214
trimethyl-[1-(2-methylprop-2-enoyloxy)prop-2-enyl]azanium
CID 87588648
2-(1-carboxyprop-2-enylamino)but-3-enoic acid
CID 66821518
1-carboxyprop-2-enylazanium chloride
CID 87996071
2-formylbut-3-enoic acid
CID 87992568

Frequently Asked Questions

What is the IUPAC name of 1-carboxyprop-2-enyl(trimethyl)azanium?
The IUPAC name of 1-carboxyprop-2-enyl(trimethyl)azanium (CID 22239387) is 1-carboxyprop-2-enyl(trimethyl)azanium.
What is the SMILES notation for 1-carboxyprop-2-enyl(trimethyl)azanium?
The canonical SMILES for 1-carboxyprop-2-enyl(trimethyl)azanium is C=CC(C(=O)O)[N+](C)(C)C.
What is the InChIKey of 1-carboxyprop-2-enyl(trimethyl)azanium?
The InChIKey is LLQCQNNCUFRCIW-UHFFFAOYSA-O. The full InChI is InChI=1S/C7H13NO2/c1-5-6(7(9)10)8(2,3)4/h5-6H,1H2,2-4H3/p+1.
What are the key properties of 1-carboxyprop-2-enyl(trimethyl)azanium?
1-carboxyprop-2-enyl(trimethyl)azanium has a molecular weight of 144.19 g/mol, XLogP of 0.33, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-carboxyprop-2-enyl(trimethyl)azanium is sourced from PubChem (CID 22239387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).