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

C9H15NO — CID 134980915

IUPAC(3R,8aR)-3-methyl-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one
SMILESC[C@@H]1CC[C@H]2CCCC(=O)N21
InChIInChI=1S/C9H15NO/c1-7-5-6-8-3-2-4-9(11)10(7)8/h7-8H,2-6H2,1H3/t7-,8-/m1/s1
InChIKeyBWECQHXBSYQZHY-HTQZYQBOSA-N
MW153.22 g/mol
LogP1.55
Rot. Bonds

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

(3R,8aR)-3-methyl-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one (PubChem CID 134980915) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is (3R,8aR)-3-methyl-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one.

Molecular Properties

Compound Name(3R,8aR)-3-methyl-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one
PubChem CID134980915
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name(3R,8aR)-3-methyl-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one
SMILESC[C@@H]1CC[C@H]2CCCC(=O)N21
InChIInChI=1S/C9H15NO/c1-7-5-6-8-3-2-4-9(11)10(7)8/h7-8H,2-6H2,1H3/t7-,8-/m1/s1
InChIKeyBWECQHXBSYQZHY-HTQZYQBOSA-N
XLogP1.55
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 ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3R,8aR)-3-methyl-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one?
The IUPAC name of (3R,8aR)-3-methyl-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one (CID 134980915) is (3R,8aR)-3-methyl-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one.
What is the SMILES notation for (3R,8aR)-3-methyl-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one?
The canonical SMILES for (3R,8aR)-3-methyl-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one is C[C@@H]1CC[C@H]2CCCC(=O)N21.
What is the InChIKey of (3R,8aR)-3-methyl-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one?
The InChIKey is BWECQHXBSYQZHY-HTQZYQBOSA-N. The full InChI is InChI=1S/C9H15NO/c1-7-5-6-8-3-2-4-9(11)10(7)8/h7-8H,2-6H2,1H3/t7-,8-/m1/s1.
What are the key properties of (3R,8aR)-3-methyl-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one?
(3R,8aR)-3-methyl-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one has a molecular weight of 153.22 g/mol, XLogP of 1.55, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,8aR)-3-methyl-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one is sourced from PubChem (CID 134980915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).