N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-5-oxopyrrolidine-3-carboxamide

C13H21N3O2 — CID 78983234

IUPACN-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-5-oxopyrrolidine-3-carboxamide
SMILESO=C1CC(C(=O)NC2CCN3CCCC3C2)CN1
InChIInChI=1S/C13H21N3O2/c17-12-6-9(8-14-12)13(18)15-10-3-5-16-4-1-2-11(16)7-10/h9-11H,1-8H2,(H,14,17)(H,15,18)
InChIKeyQZXMJTVLELJOBC-UHFFFAOYSA-N
MW251.33 g/mol
LogP-0.13
Rot. Bonds2

About N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-5-oxopyrrolidine-3-carboxamide

N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 78983234) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-5-oxopyrrolidine-3-carboxamide
PubChem CID78983234
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC NameN-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-5-oxopyrrolidine-3-carboxamide
SMILESO=C1CC(C(=O)NC2CCN3CCCC3C2)CN1
InChIInChI=1S/C13H21N3O2/c17-12-6-9(8-14-12)13(18)15-10-3-5-16-4-1-2-11(16)7-10/h9-11H,1-8H2,(H,14,17)(H,15,18)
InChIKeyQZXMJTVLELJOBC-UHFFFAOYSA-N
XLogP-0.13
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 5-0.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-5-oxopyrrolidine-3-carboxamide with MolForge

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Related Compounds

N-(2-methylpiperidin-4-yl)-5-oxopyrrolidine-3-carboxamide;hydrochloride
CID 120598192
6-oxo-N-(5-oxopyrrolidin-3-yl)piperidine-3-carboxamide
CID 104580966
(2R)-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)piperidine-2-carboxamide;dihydrochloride
CID 119854314
N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)morpholine-2-carboxamide;dihydrochloride
CID 119854357
N-(3,5-dimethylcyclohexyl)-5-oxopyrrolidine-3-carboxamide
CID 78998864
cis-(1R,3S)-3-[(6-oxopiperidine-3-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 106321143
N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 81494437
6-oxo-N-[(3S)-pyrrolidin-3-yl]piperidine-3-carboxamide
CID 83192394
N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-4-fluorobenzamide
CID 113223634
N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-3-sulfanylpropanamide
CID 107033181
N-(4-ethylcyclohexyl)-5-oxopyrrolidine-3-carboxamide
CID 78981785
N-(1-cyclohexylpiperidin-4-yl)pyrrolidine-3-carboxamide
CID 119895220

Frequently Asked Questions

What is the IUPAC name of N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-5-oxopyrrolidine-3-carboxamide (CID 78983234) is N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-5-oxopyrrolidine-3-carboxamide is O=C1CC(C(=O)NC2CCN3CCCC3C2)CN1.
What is the InChIKey of N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is QZXMJTVLELJOBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c17-12-6-9(8-14-12)13(18)15-10-3-5-16-4-1-2-11(16)7-10/h9-11H,1-8H2,(H,14,17)(H,15,18).
What are the key properties of N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-5-oxopyrrolidine-3-carboxamide?
N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 251.33 g/mol, XLogP of -0.13, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 78983234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).