(7R,8S,8aS)-7-ethyl-8-hydroxy-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one

C10H17NO2 — CID 102151502

IUPAC(7R,8S,8aS)-7-ethyl-8-hydroxy-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one
SMILESCC[C@@H]1CCN2C(=O)CC[C@H]2[C@H]1O
InChIInChI=1S/C10H17NO2/c1-2-7-5-6-11-8(10(7)13)3-4-9(11)12/h7-8,10,13H,2-6H2,1H3/t7-,8+,10+/m1/s1
InChIKeyGIEQZZDWEAEYPV-WEDXCCLWSA-N
MW183.25 g/mol
LogP0.77
Rot. Bonds1

About (7R,8S,8aS)-7-ethyl-8-hydroxy-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one

(7R,8S,8aS)-7-ethyl-8-hydroxy-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one (PubChem CID 102151502) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is (7R,8S,8aS)-7-ethyl-8-hydroxy-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one.

Molecular Properties

Compound Name(7R,8S,8aS)-7-ethyl-8-hydroxy-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one
PubChem CID102151502
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name(7R,8S,8aS)-7-ethyl-8-hydroxy-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one
SMILESCC[C@@H]1CCN2C(=O)CC[C@H]2[C@H]1O
InChIInChI=1S/C10H17NO2/c1-2-7-5-6-11-8(10(7)13)3-4-9(11)12/h7-8,10,13H,2-6H2,1H3/t7-,8+,10+/m1/s1
InChIKeyGIEQZZDWEAEYPV-WEDXCCLWSA-N
XLogP0.77
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (7R,8S,8aS)-7-ethyl-8-hydroxy-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one with MolForge

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Related Compounds

(3S,8S,8aS)-8-hydroxy-3-(hydroxymethyl)-8-methyl-1,2,3,6,7,8a-hexahydroindolizin-5-one
CID 11008929
8a-Hydroxy-1-methyl-1,2,3,6,7,8-hexahydroindolizin-5-one
CID 85741807
(3aR,4R,4aS,9aR)-4-Hydroxyperhydrofuro[2,3-f]indolizin-7(2H)-one
CID 101842437
(8R,8aS)-8-(hydroxymethyl)-7,7-dimethyl-1,2,5,6,8,8a-hexahydroindolizin-3-one
CID 130963611
(6S,7S,8S,8aS)-6-ethyl-7,8-dihydroxy-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one
CID 131003933
(6S,7S,8S,8aS)-6-Ethyl-7,8-dihydroxy-1,5,6,7,8,8a-hexahydroindolizin-3(2H)-one monohydrate
CID 139080075
(1R,2S,3R)-8-hydroxy-3-(hydroxymethyl)-1,2-dimethyl-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one
CID 59961744
(1R,2S)-8-hydroxy-3-(hydroxymethyl)-1,2-dimethyl-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one
CID 59961753
(2S,6R,8aR)-2-hydroxy-6-methyl-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one
CID 90316058
4-Hydroxy-3-methyl-4-(1-propanoylpyrrolidin-2-yl)butan-2-one
CID 124034115
(3S)-3-(hydroxymethyl)-N,N-dimethyl-1,2,3,5,6,7,8,8a-octahydroindolizine-7-carboxamide
CID 170357050
(8R)-6-hydroxy-2-propan-2-yl-1-azabicyclo[6.3.1]dodecan-11-one
CID 177058014

Frequently Asked Questions

What is the IUPAC name of (7R,8S,8aS)-7-ethyl-8-hydroxy-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one?
The IUPAC name of (7R,8S,8aS)-7-ethyl-8-hydroxy-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one (CID 102151502) is (7R,8S,8aS)-7-ethyl-8-hydroxy-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one.
What is the SMILES notation for (7R,8S,8aS)-7-ethyl-8-hydroxy-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one?
The canonical SMILES for (7R,8S,8aS)-7-ethyl-8-hydroxy-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one is CC[C@@H]1CCN2C(=O)CC[C@H]2[C@H]1O.
What is the InChIKey of (7R,8S,8aS)-7-ethyl-8-hydroxy-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one?
The InChIKey is GIEQZZDWEAEYPV-WEDXCCLWSA-N. The full InChI is InChI=1S/C10H17NO2/c1-2-7-5-6-11-8(10(7)13)3-4-9(11)12/h7-8,10,13H,2-6H2,1H3/t7-,8+,10+/m1/s1.
What are the key properties of (7R,8S,8aS)-7-ethyl-8-hydroxy-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one?
(7R,8S,8aS)-7-ethyl-8-hydroxy-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one has a molecular weight of 183.25 g/mol, XLogP of 0.77, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7R,8S,8aS)-7-ethyl-8-hydroxy-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one is sourced from PubChem (CID 102151502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).