(8aR)-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one

C8H13NO — CID 11051727

IUPAC(8aR)-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one
SMILESO=C1CCC[C@@H]2CCCN12
InChIInChI=1S/C8H13NO/c10-8-5-1-3-7-4-2-6-9(7)8/h7H,1-6H2/t7-/m1/s1
InChIKeyRDPDXQHZOLPNMZ-SSDOTTSWSA-N
MW139.20 g/mol
LogP1.16
Rot. Bonds

About (8aR)-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one

(8aR)-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one (PubChem CID 11051727) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is (8aR)-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one.

Molecular Properties

Compound Name(8aR)-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one
PubChem CID11051727
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name(8aR)-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one
SMILESO=C1CCC[C@@H]2CCCN12
InChIInChI=1S/C8H13NO/c10-8-5-1-3-7-4-2-6-9(7)8/h7H,1-6H2/t7-/m1/s1
InChIKeyRDPDXQHZOLPNMZ-SSDOTTSWSA-N
XLogP1.16
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one
CID 11789283
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CID 86313694
1-cyclodecylpyrrolidin-2-one
CID 138507623
azane;1-cyclohexylpyrrolidin-2-one
CID 172723863
1-azabicyclo[5.5.0]dodecan-2-one
CID 11063030
4-(2-oxopyrrolidin-1-yl)azepane-1-carboxamide
CID 146082370
(8R,9aS)-8-hydroxy-1,2,3,6,7,8,9,9a-octahydroquinolizin-4-one
CID 172908007
1-(4,4-dimethylcyclohexyl)pyrrolidin-2-one
CID 130233518
1-[(3S)-1-tert-butylpiperidin-3-yl]pyrrolidin-2-one
CID 166007971
4-cyclopentyl-1,4-diazocan-5-one
CID 117015321
8-methyl-1,2,3,6,7,8,9,9a-octahydroquinolizin-4-one
CID 118636069
(9R,9aR)-9-amino-1,2,3,6,7,8,9,9a-octahydroquinolizin-4-one
CID 162397801

Frequently Asked Questions

What is the IUPAC name of (8aR)-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one?
The IUPAC name of (8aR)-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one (CID 11051727) is (8aR)-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one.
What is the SMILES notation for (8aR)-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one?
The canonical SMILES for (8aR)-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one is O=C1CCC[C@@H]2CCCN12.
What is the InChIKey of (8aR)-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one?
The InChIKey is RDPDXQHZOLPNMZ-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H13NO/c10-8-5-1-3-7-4-2-6-9(7)8/h7H,1-6H2/t7-/m1/s1.
What are the key properties of (8aR)-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one?
(8aR)-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one has a molecular weight of 139.20 g/mol, XLogP of 1.16, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (8aR)-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one is sourced from PubChem (CID 11051727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).