1,2,3,5-tetrahydroindolizine-3-carboxamide

C9H12N2O — CID 141372713

IUPAC1,2,3,5-tetrahydroindolizine-3-carboxamide
SMILESNC(=O)C1CCC2=CC=CCN21
InChIInChI=1S/C9H12N2O/c10-9(12)8-5-4-7-3-1-2-6-11(7)8/h1-3,8H,4-6H2,(H2,10,12)
InChIKeyKCOGOBWLSQOMHX-UHFFFAOYSA-N
MW164.21 g/mol
LogP0.39
Rot. Bonds1

About 1,2,3,5-tetrahydroindolizine-3-carboxamide

1,2,3,5-tetrahydroindolizine-3-carboxamide (PubChem CID 141372713) has the molecular formula C9H12N2O and a molecular weight of 164.21 g/mol. Its IUPAC name is 1,2,3,5-tetrahydroindolizine-3-carboxamide.

Molecular Properties

Compound Name1,2,3,5-tetrahydroindolizine-3-carboxamide
PubChem CID141372713
Molecular FormulaC9H12N2O
Molecular Weight164.21 g/mol
Exact Mass164.09
IUPAC Name1,2,3,5-tetrahydroindolizine-3-carboxamide
SMILESNC(=O)C1CCC2=CC=CCN21
InChIInChI=1S/C9H12N2O/c10-9(12)8-5-4-7-3-1-2-6-11(7)8/h1-3,8H,4-6H2,(H2,10,12)
InChIKeyKCOGOBWLSQOMHX-UHFFFAOYSA-N
XLogP0.39
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.21
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,5-tetrahydroindolizine-3-carboxamide?
The IUPAC name of 1,2,3,5-tetrahydroindolizine-3-carboxamide (CID 141372713) is 1,2,3,5-tetrahydroindolizine-3-carboxamide.
What is the SMILES notation for 1,2,3,5-tetrahydroindolizine-3-carboxamide?
The canonical SMILES for 1,2,3,5-tetrahydroindolizine-3-carboxamide is NC(=O)C1CCC2=CC=CCN21.
What is the InChIKey of 1,2,3,5-tetrahydroindolizine-3-carboxamide?
The InChIKey is KCOGOBWLSQOMHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O/c10-9(12)8-5-4-7-3-1-2-6-11(7)8/h1-3,8H,4-6H2,(H2,10,12).
What are the key properties of 1,2,3,5-tetrahydroindolizine-3-carboxamide?
1,2,3,5-tetrahydroindolizine-3-carboxamide has a molecular weight of 164.21 g/mol, XLogP of 0.39, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,5-tetrahydroindolizine-3-carboxamide is sourced from PubChem (CID 141372713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).