(2R,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizine-2-carboxamide

C9H16N2O — CID 95240709

IUPAC(2R,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizine-2-carboxamide
SMILESNC(=O)[C@@H]1C[C@@H]2CCCCN2C1
InChIInChI=1S/C9H16N2O/c10-9(12)7-5-8-3-1-2-4-11(8)6-7/h7-8H,1-6H2,(H2,10,12)/t7-,8+/m1/s1
InChIKeyUPJJAEWFTKIBOB-SFYZADRCSA-N
MW168.24 g/mol
LogP0.35
Rot. Bonds1

About (2R,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizine-2-carboxamide

(2R,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizine-2-carboxamide (PubChem CID 95240709) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is (2R,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizine-2-carboxamide.

Molecular Properties

Compound Name(2R,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizine-2-carboxamide
PubChem CID95240709
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC Name(2R,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizine-2-carboxamide
SMILESNC(=O)[C@@H]1C[C@@H]2CCCCN2C1
InChIInChI=1S/C9H16N2O/c10-9(12)7-5-8-3-1-2-4-11(8)6-7/h7-8H,1-6H2,(H2,10,12)/t7-,8+/m1/s1
InChIKeyUPJJAEWFTKIBOB-SFYZADRCSA-N
XLogP0.35
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizine-2-carboxylic acid
CID 98202645
1-cyclohexylpyrrolidine-3-carboxamide;hydrochloride
CID 67294203
(2R,8aS)-N'-hydroxy-1,2,3,5,6,7,8,8a-octahydroindolizine-2-carboximidamide
CID 95240707
2,3,5,6,7,8-hexahydro-1H-pyrrolizine-2-carbothioamide
CID 18941091
(3R)-1-[(1R,3R)-3-methylcyclopentyl]piperidine-3-carboxamide
CID 30979824
1-(1,2,3,5,6,7,8,8a-octahydroindolizin-2-yl)azetidine-3-carboxylic acid
CID 165477842
(6S)-1-acetyl-4-cyclohexyl-1,4-diazepane-6-carboxamide
CID 124972494
1-acetyl-4-cyclohexyl-1,4-diazepane-6-carboxamide
CID 110098556
1-cyclodecyl-5-propan-2-ylpiperidine-3-carboxamide
CID 137413174
1-[(1S,3R)-3-methylcyclohexyl]piperidine-4-carboxamide
CID 26458332
1-(4-oxocyclohexyl)piperidine-3-carboxamide
CID 114761991
1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carboxamide
CID 78942270

Frequently Asked Questions

What is the IUPAC name of (2R,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizine-2-carboxamide?
The IUPAC name of (2R,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizine-2-carboxamide (CID 95240709) is (2R,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizine-2-carboxamide.
What is the SMILES notation for (2R,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizine-2-carboxamide?
The canonical SMILES for (2R,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizine-2-carboxamide is NC(=O)[C@@H]1C[C@@H]2CCCCN2C1.
What is the InChIKey of (2R,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizine-2-carboxamide?
The InChIKey is UPJJAEWFTKIBOB-SFYZADRCSA-N. The full InChI is InChI=1S/C9H16N2O/c10-9(12)7-5-8-3-1-2-4-11(8)6-7/h7-8H,1-6H2,(H2,10,12)/t7-,8+/m1/s1.
What are the key properties of (2R,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizine-2-carboxamide?
(2R,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizine-2-carboxamide has a molecular weight of 168.24 g/mol, XLogP of 0.35, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizine-2-carboxamide is sourced from PubChem (CID 95240709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).