(8aR)-3,3-dimethyl-1,2,5,6,8,8a-hexahydroindolizin-7-one

C10H17NO — CID 129404067

IUPAC(8aR)-3,3-dimethyl-1,2,5,6,8,8a-hexahydroindolizin-7-one
SMILESCC1(C)CC[C@@H]2CC(=O)CCN21
InChIInChI=1S/C10H17NO/c1-10(2)5-3-8-7-9(12)4-6-11(8)10/h8H,3-7H2,1-2H3/t8-/m1/s1
InChIKeyPMKWMVHAGZXDLY-MRVPVSSYSA-N
MW167.25 g/mol
LogP1.59
Rot. Bonds

About (8aR)-3,3-dimethyl-1,2,5,6,8,8a-hexahydroindolizin-7-one

(8aR)-3,3-dimethyl-1,2,5,6,8,8a-hexahydroindolizin-7-one (PubChem CID 129404067) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is (8aR)-3,3-dimethyl-1,2,5,6,8,8a-hexahydroindolizin-7-one.

Molecular Properties

Compound Name(8aR)-3,3-dimethyl-1,2,5,6,8,8a-hexahydroindolizin-7-one
PubChem CID129404067
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name(8aR)-3,3-dimethyl-1,2,5,6,8,8a-hexahydroindolizin-7-one
SMILESCC1(C)CC[C@@H]2CC(=O)CCN21
InChIInChI=1S/C10H17NO/c1-10(2)5-3-8-7-9(12)4-6-11(8)10/h8H,3-7H2,1-2H3/t8-/m1/s1
InChIKeyPMKWMVHAGZXDLY-MRVPVSSYSA-N
XLogP1.59
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3,4,6,7,9,9a-hexahydro-1H-quinolizine-2,8-dione
CID 164802583
6,6-dimethyl-2,3,4,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 72528013
3-pyrrolidin-1-ylcyclopentan-1-one
CID 79643269
2,8a-dimethyl-3,4,4a,5,7,8-hexahydro-1H-isoquinolin-6-one
CID 143082204
8-(1-methylcyclohexyl)-8-azabicyclo[3.2.1]octan-3-one
CID 62740152
1-(4,4-dimethylcyclohexyl)pyrrolidin-2-one
CID 130233518
(2R,8aS)-2-methyl-2-phenyl-1,3,5,6,8,8a-hexahydroindolizin-7-one
CID 124645953
1-(2,2-dimethylcyclobutyl)pyrrolidin-3-one
CID 130556007
2-methyl-1-[(1-methylcyclopentyl)methyl]piperidin-4-one
CID 63829947
4-(2,2-dimethylpiperazin-1-yl)azepan-2-one
CID 65462985
(2S)-2-ethyl-2,3,5,6,8,8a-hexahydro-1H-indolizin-7-one
CID 163815159
4-[3-(hydroxymethyl)-3-methylpyrrolidin-1-yl]cyclohexan-1-one
CID 130877771

Frequently Asked Questions

What is the IUPAC name of (8aR)-3,3-dimethyl-1,2,5,6,8,8a-hexahydroindolizin-7-one?
The IUPAC name of (8aR)-3,3-dimethyl-1,2,5,6,8,8a-hexahydroindolizin-7-one (CID 129404067) is (8aR)-3,3-dimethyl-1,2,5,6,8,8a-hexahydroindolizin-7-one.
What is the SMILES notation for (8aR)-3,3-dimethyl-1,2,5,6,8,8a-hexahydroindolizin-7-one?
The canonical SMILES for (8aR)-3,3-dimethyl-1,2,5,6,8,8a-hexahydroindolizin-7-one is CC1(C)CC[C@@H]2CC(=O)CCN21.
What is the InChIKey of (8aR)-3,3-dimethyl-1,2,5,6,8,8a-hexahydroindolizin-7-one?
The InChIKey is PMKWMVHAGZXDLY-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H17NO/c1-10(2)5-3-8-7-9(12)4-6-11(8)10/h8H,3-7H2,1-2H3/t8-/m1/s1.
What are the key properties of (8aR)-3,3-dimethyl-1,2,5,6,8,8a-hexahydroindolizin-7-one?
(8aR)-3,3-dimethyl-1,2,5,6,8,8a-hexahydroindolizin-7-one has a molecular weight of 167.25 g/mol, XLogP of 1.59, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (8aR)-3,3-dimethyl-1,2,5,6,8,8a-hexahydroindolizin-7-one is sourced from PubChem (CID 129404067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).