N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-2-pyrrolidin-2-ylacetamide;dihydrochloride

C14H27Cl2N3O — CID 119854358

IUPACN-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-2-pyrrolidin-2-ylacetamide;dihydrochloride
SMILESCl.Cl.O=C(CC1CCCN1)NC1CCN2CCCC2C1
InChIInChI=1S/C14H25N3O.2ClH/c18-14(10-11-3-1-6-15-11)16-12-5-8-17-7-2-4-13(17)9-12;;/h11-13,15H,1-10H2,(H,16,18);2*1H
InChIKeyIKUKKINXGFMUKK-UHFFFAOYSA-N
MW324.30 g/mol
LogP1.72
Rot. Bonds3

About N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-2-pyrrolidin-2-ylacetamide;dihydrochloride

N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-2-pyrrolidin-2-ylacetamide;dihydrochloride (PubChem CID 119854358) has the molecular formula C14H27Cl2N3O and a molecular weight of 324.30 g/mol. Its IUPAC name is N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-2-pyrrolidin-2-ylacetamide;dihydrochloride.

Molecular Properties

Compound NameN-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-2-pyrrolidin-2-ylacetamide;dihydrochloride
PubChem CID119854358
Molecular FormulaC14H27Cl2N3O
Molecular Weight324.30 g/mol
Exact Mass323.15
IUPAC NameN-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-2-pyrrolidin-2-ylacetamide;dihydrochloride
SMILESCl.Cl.O=C(CC1CCCN1)NC1CCN2CCCC2C1
InChIInChI=1S/C14H25N3O.2ClH/c18-14(10-11-3-1-6-15-11)16-12-5-8-17-7-2-4-13(17)9-12;;/h11-13,15H,1-10H2,(H,16,18);2*1H
InChIKeyIKUKKINXGFMUKK-UHFFFAOYSA-N
XLogP1.72
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.30
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 119941128
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CID 119854359
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Frequently Asked Questions

What is the IUPAC name of N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-2-pyrrolidin-2-ylacetamide;dihydrochloride?
The IUPAC name of N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-2-pyrrolidin-2-ylacetamide;dihydrochloride (CID 119854358) is N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-2-pyrrolidin-2-ylacetamide;dihydrochloride.
What is the SMILES notation for N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-2-pyrrolidin-2-ylacetamide;dihydrochloride?
The canonical SMILES for N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-2-pyrrolidin-2-ylacetamide;dihydrochloride is Cl.Cl.O=C(CC1CCCN1)NC1CCN2CCCC2C1.
What is the InChIKey of N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-2-pyrrolidin-2-ylacetamide;dihydrochloride?
The InChIKey is IKUKKINXGFMUKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O.2ClH/c18-14(10-11-3-1-6-15-11)16-12-5-8-17-7-2-4-13(17)9-12;;/h11-13,15H,1-10H2,(H,16,18);2*1H.
What are the key properties of N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-2-pyrrolidin-2-ylacetamide;dihydrochloride?
N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-2-pyrrolidin-2-ylacetamide;dihydrochloride has a molecular weight of 324.30 g/mol, XLogP of 1.72, 3 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)-2-pyrrolidin-2-ylacetamide;dihydrochloride is sourced from PubChem (CID 119854358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).