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

C10H17NO — CID 57457960

IUPAC(8aS)-2,2-dimethyl-1,3,5,6,8,8a-hexahydroindolizin-7-one
SMILESCC1(C)C[C@H]2CC(=O)CCN2C1
InChIInChI=1S/C10H17NO/c1-10(2)6-8-5-9(12)3-4-11(8)7-10/h8H,3-7H2,1-2H3/t8-/m1/s1
InChIKeyPBXBYFTWGJZPBL-MRVPVSSYSA-N
MW167.25 g/mol
LogP1.45
Rot. Bonds

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

(8aS)-2,2-dimethyl-1,3,5,6,8,8a-hexahydroindolizin-7-one (PubChem CID 57457960) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is (8aS)-2,2-dimethyl-1,3,5,6,8,8a-hexahydroindolizin-7-one.

Molecular Properties

Compound Name(8aS)-2,2-dimethyl-1,3,5,6,8,8a-hexahydroindolizin-7-one
PubChem CID57457960
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name(8aS)-2,2-dimethyl-1,3,5,6,8,8a-hexahydroindolizin-7-one
SMILESCC1(C)C[C@H]2CC(=O)CCN2C1
InChIInChI=1S/C10H17NO/c1-10(2)6-8-5-9(12)3-4-11(8)7-10/h8H,3-7H2,1-2H3/t8-/m1/s1
InChIKeyPBXBYFTWGJZPBL-MRVPVSSYSA-N
XLogP1.45
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 ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (8aS)-2,2-dimethyl-1,3,5,6,8,8a-hexahydroindolizin-7-one?
The IUPAC name of (8aS)-2,2-dimethyl-1,3,5,6,8,8a-hexahydroindolizin-7-one (CID 57457960) is (8aS)-2,2-dimethyl-1,3,5,6,8,8a-hexahydroindolizin-7-one.
What is the SMILES notation for (8aS)-2,2-dimethyl-1,3,5,6,8,8a-hexahydroindolizin-7-one?
The canonical SMILES for (8aS)-2,2-dimethyl-1,3,5,6,8,8a-hexahydroindolizin-7-one is CC1(C)C[C@H]2CC(=O)CCN2C1.
What is the InChIKey of (8aS)-2,2-dimethyl-1,3,5,6,8,8a-hexahydroindolizin-7-one?
The InChIKey is PBXBYFTWGJZPBL-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H17NO/c1-10(2)6-8-5-9(12)3-4-11(8)7-10/h8H,3-7H2,1-2H3/t8-/m1/s1.
What are the key properties of (8aS)-2,2-dimethyl-1,3,5,6,8,8a-hexahydroindolizin-7-one?
(8aS)-2,2-dimethyl-1,3,5,6,8,8a-hexahydroindolizin-7-one has a molecular weight of 167.25 g/mol, XLogP of 1.45, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (8aS)-2,2-dimethyl-1,3,5,6,8,8a-hexahydroindolizin-7-one is sourced from PubChem (CID 57457960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).