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

C9H15NO — CID 135038980

IUPAC(7R,8aR)-7-methyl-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one
SMILESC[C@@H]1CCN2C(=O)CC[C@@H]2C1
InChIInChI=1S/C9H15NO/c1-7-4-5-10-8(6-7)2-3-9(10)11/h7-8H,2-6H2,1H3/t7-,8-/m1/s1
InChIKeyRTWBPWBTJUPLQS-HTQZYQBOSA-N
MW153.22 g/mol
LogP1.41
Rot. Bonds

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

(7R,8aR)-7-methyl-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one (PubChem CID 135038980) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is (7R,8aR)-7-methyl-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one.

Molecular Properties

Compound Name(7R,8aR)-7-methyl-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one
PubChem CID135038980
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name(7R,8aR)-7-methyl-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one
SMILESC[C@@H]1CCN2C(=O)CC[C@@H]2C1
InChIInChI=1S/C9H15NO/c1-7-4-5-10-8(6-7)2-3-9(10)11/h7-8H,2-6H2,1H3/t7-,8-/m1/s1
InChIKeyRTWBPWBTJUPLQS-HTQZYQBOSA-N
XLogP1.41
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (7R,8aR)-7-methyl-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one?
The IUPAC name of (7R,8aR)-7-methyl-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one (CID 135038980) is (7R,8aR)-7-methyl-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one.
What is the SMILES notation for (7R,8aR)-7-methyl-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one?
The canonical SMILES for (7R,8aR)-7-methyl-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one is C[C@@H]1CCN2C(=O)CC[C@@H]2C1.
What is the InChIKey of (7R,8aR)-7-methyl-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one?
The InChIKey is RTWBPWBTJUPLQS-HTQZYQBOSA-N. The full InChI is InChI=1S/C9H15NO/c1-7-4-5-10-8(6-7)2-3-9(10)11/h7-8H,2-6H2,1H3/t7-,8-/m1/s1.
What are the key properties of (7R,8aR)-7-methyl-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one?
(7R,8aR)-7-methyl-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one has a molecular weight of 153.22 g/mol, XLogP of 1.41, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (7R,8aR)-7-methyl-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one is sourced from PubChem (CID 135038980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).