2-[1-(ethylamino)-2,3,5,6,7,8-hexahydropyrrolizin-1-yl]acetamide

C11H21N3O — CID 82856391

IUPAC2-[1-(ethylamino)-2,3,5,6,7,8-hexahydropyrrolizin-1-yl]acetamide
SMILESCCNC1(CC(N)=O)CCN2CCCC21
InChIInChI=1S/C11H21N3O/c1-2-13-11(8-10(12)15)5-7-14-6-3-4-9(11)14/h9,13H,2-8H2,1H3,(H2,12,15)
InChIKeyQNOQVXDCFUPZSK-UHFFFAOYSA-N
MW211.31 g/mol
LogP0.08
Rot. Bonds4

About 2-[1-(ethylamino)-2,3,5,6,7,8-hexahydropyrrolizin-1-yl]acetamide

2-[1-(ethylamino)-2,3,5,6,7,8-hexahydropyrrolizin-1-yl]acetamide (PubChem CID 82856391) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is 2-[1-(ethylamino)-2,3,5,6,7,8-hexahydropyrrolizin-1-yl]acetamide.

Molecular Properties

Compound Name2-[1-(ethylamino)-2,3,5,6,7,8-hexahydropyrrolizin-1-yl]acetamide
PubChem CID82856391
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC Name2-[1-(ethylamino)-2,3,5,6,7,8-hexahydropyrrolizin-1-yl]acetamide
SMILESCCNC1(CC(N)=O)CCN2CCCC21
InChIInChI=1S/C11H21N3O/c1-2-13-11(8-10(12)15)5-7-14-6-3-4-9(11)14/h9,13H,2-8H2,1H3,(H2,12,15)
InChIKeyQNOQVXDCFUPZSK-UHFFFAOYSA-N
XLogP0.08
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(ethylamino)-2,3,5,6,7,8-hexahydropyrrolizin-1-yl]acetamide?
The IUPAC name of 2-[1-(ethylamino)-2,3,5,6,7,8-hexahydropyrrolizin-1-yl]acetamide (CID 82856391) is 2-[1-(ethylamino)-2,3,5,6,7,8-hexahydropyrrolizin-1-yl]acetamide.
What is the SMILES notation for 2-[1-(ethylamino)-2,3,5,6,7,8-hexahydropyrrolizin-1-yl]acetamide?
The canonical SMILES for 2-[1-(ethylamino)-2,3,5,6,7,8-hexahydropyrrolizin-1-yl]acetamide is CCNC1(CC(N)=O)CCN2CCCC21.
What is the InChIKey of 2-[1-(ethylamino)-2,3,5,6,7,8-hexahydropyrrolizin-1-yl]acetamide?
The InChIKey is QNOQVXDCFUPZSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O/c1-2-13-11(8-10(12)15)5-7-14-6-3-4-9(11)14/h9,13H,2-8H2,1H3,(H2,12,15).
What are the key properties of 2-[1-(ethylamino)-2,3,5,6,7,8-hexahydropyrrolizin-1-yl]acetamide?
2-[1-(ethylamino)-2,3,5,6,7,8-hexahydropyrrolizin-1-yl]acetamide has a molecular weight of 211.31 g/mol, XLogP of 0.08, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(ethylamino)-2,3,5,6,7,8-hexahydropyrrolizin-1-yl]acetamide is sourced from PubChem (CID 82856391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).