2,4-dimethylindolizin-4-ium-6-carboxamide

C11H13N2O+ — CID 87601046

IUPAC2,4-dimethylindolizin-4-ium-6-carboxamide
SMILESCC1=C[N+]2(C)C=C(C(N)=O)C=CC2=C1
InChIInChI=1S/C11H12N2O/c1-8-5-10-4-3-9(11(12)14)7-13(10,2)6-8/h3-7H,1-2H3,(H-,12,14)/p+1
InChIKeyWLCIECFFCJPDFV-UHFFFAOYSA-O
MW189.24 g/mol
LogP1.17
Rot. Bonds1

About 2,4-dimethylindolizin-4-ium-6-carboxamide

2,4-dimethylindolizin-4-ium-6-carboxamide (PubChem CID 87601046) has the molecular formula C11H13N2O+ and a molecular weight of 189.24 g/mol. Its IUPAC name is 2,4-dimethylindolizin-4-ium-6-carboxamide.

Molecular Properties

Compound Name2,4-dimethylindolizin-4-ium-6-carboxamide
PubChem CID87601046
Molecular FormulaC11H13N2O+
Molecular Weight189.24 g/mol
Exact Mass189.10
IUPAC Name2,4-dimethylindolizin-4-ium-6-carboxamide
SMILESCC1=C[N+]2(C)C=C(C(N)=O)C=CC2=C1
InChIInChI=1S/C11H12N2O/c1-8-5-10-4-3-9(11(12)14)7-13(10,2)6-8/h3-7H,1-2H3,(H-,12,14)/p+1
InChIKeyWLCIECFFCJPDFV-UHFFFAOYSA-O
XLogP1.17
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.24
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethylindolizin-4-ium-6-carboxamide?
The IUPAC name of 2,4-dimethylindolizin-4-ium-6-carboxamide (CID 87601046) is 2,4-dimethylindolizin-4-ium-6-carboxamide.
What is the SMILES notation for 2,4-dimethylindolizin-4-ium-6-carboxamide?
The canonical SMILES for 2,4-dimethylindolizin-4-ium-6-carboxamide is CC1=C[N+]2(C)C=C(C(N)=O)C=CC2=C1.
What is the InChIKey of 2,4-dimethylindolizin-4-ium-6-carboxamide?
The InChIKey is WLCIECFFCJPDFV-UHFFFAOYSA-O. The full InChI is InChI=1S/C11H12N2O/c1-8-5-10-4-3-9(11(12)14)7-13(10,2)6-8/h3-7H,1-2H3,(H-,12,14)/p+1.
What are the key properties of 2,4-dimethylindolizin-4-ium-6-carboxamide?
2,4-dimethylindolizin-4-ium-6-carboxamide has a molecular weight of 189.24 g/mol, XLogP of 1.17, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethylindolizin-4-ium-6-carboxamide is sourced from PubChem (CID 87601046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).