(5R,8aR)-5-methyl-7-methylidene-1,2,5,6,8,8a-hexahydroindolizin-3-one

C10H15NO — CID 11423782

IUPAC(5R,8aR)-5-methyl-7-methylidene-1,2,5,6,8,8a-hexahydroindolizin-3-one
SMILESC=C1C[C@H]2CCC(=O)N2[C@H](C)C1
InChIInChI=1S/C10H15NO/c1-7-5-8(2)11-9(6-7)3-4-10(11)12/h8-9H,1,3-6H2,2H3/t8-,9-/m1/s1
InChIKeyRVSFCJHJYIWILO-RKDXNWHRSA-N
MW165.24 g/mol
LogP1.72
Rot. Bonds

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

(5R,8aR)-5-methyl-7-methylidene-1,2,5,6,8,8a-hexahydroindolizin-3-one (PubChem CID 11423782) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is (5R,8aR)-5-methyl-7-methylidene-1,2,5,6,8,8a-hexahydroindolizin-3-one.

Molecular Properties

Compound Name(5R,8aR)-5-methyl-7-methylidene-1,2,5,6,8,8a-hexahydroindolizin-3-one
PubChem CID11423782
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC Name(5R,8aR)-5-methyl-7-methylidene-1,2,5,6,8,8a-hexahydroindolizin-3-one
SMILESC=C1C[C@H]2CCC(=O)N2[C@H](C)C1
InChIInChI=1S/C10H15NO/c1-7-5-8(2)11-9(6-7)3-4-10(11)12/h8-9H,1,3-6H2,2H3/t8-,9-/m1/s1
InChIKeyRVSFCJHJYIWILO-RKDXNWHRSA-N
XLogP1.72
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5R,8aR)-5-methyl-7-methylidene-1,2,5,6,8,8a-hexahydroindolizin-3-one?
The IUPAC name of (5R,8aR)-5-methyl-7-methylidene-1,2,5,6,8,8a-hexahydroindolizin-3-one (CID 11423782) is (5R,8aR)-5-methyl-7-methylidene-1,2,5,6,8,8a-hexahydroindolizin-3-one.
What is the SMILES notation for (5R,8aR)-5-methyl-7-methylidene-1,2,5,6,8,8a-hexahydroindolizin-3-one?
The canonical SMILES for (5R,8aR)-5-methyl-7-methylidene-1,2,5,6,8,8a-hexahydroindolizin-3-one is C=C1C[C@H]2CCC(=O)N2[C@H](C)C1.
What is the InChIKey of (5R,8aR)-5-methyl-7-methylidene-1,2,5,6,8,8a-hexahydroindolizin-3-one?
The InChIKey is RVSFCJHJYIWILO-RKDXNWHRSA-N. The full InChI is InChI=1S/C10H15NO/c1-7-5-8(2)11-9(6-7)3-4-10(11)12/h8-9H,1,3-6H2,2H3/t8-,9-/m1/s1.
What are the key properties of (5R,8aR)-5-methyl-7-methylidene-1,2,5,6,8,8a-hexahydroindolizin-3-one?
(5R,8aR)-5-methyl-7-methylidene-1,2,5,6,8,8a-hexahydroindolizin-3-one has a molecular weight of 165.24 g/mol, XLogP of 1.72, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,8aR)-5-methyl-7-methylidene-1,2,5,6,8,8a-hexahydroindolizin-3-one is sourced from PubChem (CID 11423782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).