1-oxo-3,5,6,7,8,8a-hexahydro-2H-indolizine-5-carboxamide

C9H14N2O2 — CID 142260498

IUPAC1-oxo-3,5,6,7,8,8a-hexahydro-2H-indolizine-5-carboxamide
SMILESNC(=O)C1CCCC2C(=O)CCN12
InChIInChI=1S/C9H14N2O2/c10-9(13)7-3-1-2-6-8(12)4-5-11(6)7/h6-7H,1-5H2,(H2,10,13)
InChIKeyJSRQHELFBYDWAL-UHFFFAOYSA-N
MW182.22 g/mol
LogP-0.33
Rot. Bonds1

About 1-oxo-3,5,6,7,8,8a-hexahydro-2H-indolizine-5-carboxamide

1-oxo-3,5,6,7,8,8a-hexahydro-2H-indolizine-5-carboxamide (PubChem CID 142260498) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is 1-oxo-3,5,6,7,8,8a-hexahydro-2H-indolizine-5-carboxamide.

Molecular Properties

Compound Name1-oxo-3,5,6,7,8,8a-hexahydro-2H-indolizine-5-carboxamide
PubChem CID142260498
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Name1-oxo-3,5,6,7,8,8a-hexahydro-2H-indolizine-5-carboxamide
SMILESNC(=O)C1CCCC2C(=O)CCN12
InChIInChI=1S/C9H14N2O2/c10-9(13)7-3-1-2-6-8(12)4-5-11(6)7/h6-7H,1-5H2,(H2,10,13)
InChIKeyJSRQHELFBYDWAL-UHFFFAOYSA-N
XLogP-0.33
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 5-0.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-oxo-3,5,6,7,8,8a-hexahydro-2H-indolizine-5-carboxamide?
The IUPAC name of 1-oxo-3,5,6,7,8,8a-hexahydro-2H-indolizine-5-carboxamide (CID 142260498) is 1-oxo-3,5,6,7,8,8a-hexahydro-2H-indolizine-5-carboxamide.
What is the SMILES notation for 1-oxo-3,5,6,7,8,8a-hexahydro-2H-indolizine-5-carboxamide?
The canonical SMILES for 1-oxo-3,5,6,7,8,8a-hexahydro-2H-indolizine-5-carboxamide is NC(=O)C1CCCC2C(=O)CCN12.
What is the InChIKey of 1-oxo-3,5,6,7,8,8a-hexahydro-2H-indolizine-5-carboxamide?
The InChIKey is JSRQHELFBYDWAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2/c10-9(13)7-3-1-2-6-8(12)4-5-11(6)7/h6-7H,1-5H2,(H2,10,13).
What are the key properties of 1-oxo-3,5,6,7,8,8a-hexahydro-2H-indolizine-5-carboxamide?
1-oxo-3,5,6,7,8,8a-hexahydro-2H-indolizine-5-carboxamide has a molecular weight of 182.22 g/mol, XLogP of -0.33, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-oxo-3,5,6,7,8,8a-hexahydro-2H-indolizine-5-carboxamide is sourced from PubChem (CID 142260498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).