8-amino-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one

C8H14N2O — CID 82416566

IUPAC8-amino-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one
SMILESNC1CCC(=O)N2CCCC12
InChIInChI=1S/C8H14N2O/c9-6-3-4-8(11)10-5-1-2-7(6)10/h6-7H,1-5,9H2
InChIKeyYNIIHIJOBKGWSK-UHFFFAOYSA-N
MW154.21 g/mol
LogP0.10
Rot. Bonds

About 8-amino-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one

8-amino-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one (PubChem CID 82416566) has the molecular formula C8H14N2O and a molecular weight of 154.21 g/mol. Its IUPAC name is 8-amino-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one.

Molecular Properties

Compound Name8-amino-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one
PubChem CID82416566
Molecular FormulaC8H14N2O
Molecular Weight154.21 g/mol
Exact Mass154.11
IUPAC Name8-amino-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one
SMILESNC1CCC(=O)N2CCCC12
InChIInChI=1S/C8H14N2O/c9-6-3-4-8(11)10-5-1-2-7(6)10/h6-7H,1-5,9H2
InChIKeyYNIIHIJOBKGWSK-UHFFFAOYSA-N
XLogP0.10
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-amino-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one?
The IUPAC name of 8-amino-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one (CID 82416566) is 8-amino-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one.
What is the SMILES notation for 8-amino-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one?
The canonical SMILES for 8-amino-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one is NC1CCC(=O)N2CCCC12.
What is the InChIKey of 8-amino-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one?
The InChIKey is YNIIHIJOBKGWSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O/c9-6-3-4-8(11)10-5-1-2-7(6)10/h6-7H,1-5,9H2.
What are the key properties of 8-amino-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one?
8-amino-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one has a molecular weight of 154.21 g/mol, XLogP of 0.10, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-amino-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one is sourced from PubChem (CID 82416566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).