1-oxo-3,5-dihydro-2H-indolizine-3-carboxamide

C9H10N2O2 — CID 141278338

IUPAC1-oxo-3,5-dihydro-2H-indolizine-3-carboxamide
SMILESNC(=O)C1CC(=O)C2=CC=CCN21
InChIInChI=1S/C9H10N2O2/c10-9(13)7-5-8(12)6-3-1-2-4-11(6)7/h1-3,7H,4-5H2,(H2,10,13)
InChIKeyNPCQBPVDNYDNBV-UHFFFAOYSA-N
MW178.19 g/mol
LogP-0.43
Rot. Bonds1

About 1-oxo-3,5-dihydro-2H-indolizine-3-carboxamide

1-oxo-3,5-dihydro-2H-indolizine-3-carboxamide (PubChem CID 141278338) has the molecular formula C9H10N2O2 and a molecular weight of 178.19 g/mol. Its IUPAC name is 1-oxo-3,5-dihydro-2H-indolizine-3-carboxamide.

Molecular Properties

Compound Name1-oxo-3,5-dihydro-2H-indolizine-3-carboxamide
PubChem CID141278338
Molecular FormulaC9H10N2O2
Molecular Weight178.19 g/mol
Exact Mass178.07
IUPAC Name1-oxo-3,5-dihydro-2H-indolizine-3-carboxamide
SMILESNC(=O)C1CC(=O)C2=CC=CCN21
InChIInChI=1S/C9H10N2O2/c10-9(13)7-5-8(12)6-3-1-2-4-11(6)7/h1-3,7H,4-5H2,(H2,10,13)
InChIKeyNPCQBPVDNYDNBV-UHFFFAOYSA-N
XLogP-0.43
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.19
LogP ≤ 5-0.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-oxo-3,5-dihydro-2H-indolizine-3-carboxamide?
The IUPAC name of 1-oxo-3,5-dihydro-2H-indolizine-3-carboxamide (CID 141278338) is 1-oxo-3,5-dihydro-2H-indolizine-3-carboxamide.
What is the SMILES notation for 1-oxo-3,5-dihydro-2H-indolizine-3-carboxamide?
The canonical SMILES for 1-oxo-3,5-dihydro-2H-indolizine-3-carboxamide is NC(=O)C1CC(=O)C2=CC=CCN21.
What is the InChIKey of 1-oxo-3,5-dihydro-2H-indolizine-3-carboxamide?
The InChIKey is NPCQBPVDNYDNBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O2/c10-9(13)7-5-8(12)6-3-1-2-4-11(6)7/h1-3,7H,4-5H2,(H2,10,13).
What are the key properties of 1-oxo-3,5-dihydro-2H-indolizine-3-carboxamide?
1-oxo-3,5-dihydro-2H-indolizine-3-carboxamide has a molecular weight of 178.19 g/mol, XLogP of -0.43, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-oxo-3,5-dihydro-2H-indolizine-3-carboxamide is sourced from PubChem (CID 141278338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).