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

C15H17NO — CID 11333630

IUPAC(5R,8aS)-2-methylidene-5-phenyl-1,3,5,6,8,8a-hexahydroindolizin-7-one
SMILESC=C1C[C@H]2CC(=O)C[C@H](c3ccccc3)N2C1
InChIInChI=1S/C15H17NO/c1-11-7-13-8-14(17)9-15(16(13)10-11)12-5-3-2-4-6-12/h2-6,13,15H,1,7-10H2/t13-,15+/m0/s1
InChIKeyRYLREZODOJEOER-DZGCQCFKSA-N
MW227.31 g/mol
LogP2.72
Rot. Bonds1

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

(5R,8aS)-2-methylidene-5-phenyl-1,3,5,6,8,8a-hexahydroindolizin-7-one (PubChem CID 11333630) has the molecular formula C15H17NO and a molecular weight of 227.31 g/mol. Its IUPAC name is (5R,8aS)-2-methylidene-5-phenyl-1,3,5,6,8,8a-hexahydroindolizin-7-one.

Molecular Properties

Compound Name(5R,8aS)-2-methylidene-5-phenyl-1,3,5,6,8,8a-hexahydroindolizin-7-one
PubChem CID11333630
Molecular FormulaC15H17NO
Molecular Weight227.31 g/mol
Exact Mass227.13
IUPAC Name(5R,8aS)-2-methylidene-5-phenyl-1,3,5,6,8,8a-hexahydroindolizin-7-one
SMILESC=C1C[C@H]2CC(=O)C[C@H](c3ccccc3)N2C1
InChIInChI=1S/C15H17NO/c1-11-7-13-8-14(17)9-15(16(13)10-11)12-5-3-2-4-6-12/h2-6,13,15H,1,7-10H2/t13-,15+/m0/s1
InChIKeyRYLREZODOJEOER-DZGCQCFKSA-N
XLogP2.72
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (5R,8aS)-2-methylidene-5-phenyl-1,3,5,6,8,8a-hexahydroindolizin-7-one with MolForge

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Related Compounds

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CID 102437913
1-nitroso-2,6-diphenylpiperidin-4-one
CID 14663661
1-methyl-6-phenylpiperidine-2,4-dione
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CID 11832713
(3R,7R)-3-amino-1-(cyclopropylmethyl)-7-phenylazepan-2-one
CID 58844838
1,2-diphenylpiperidin-4-one
CID 56846102
3-amino-1,5-diphenylpyrrolidin-2-one
CID 131864676
(2R,6R)-1,2,6-triphenylphosphinan-4-one
CID 12914047
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CID 69110592

Frequently Asked Questions

What is the IUPAC name of (5R,8aS)-2-methylidene-5-phenyl-1,3,5,6,8,8a-hexahydroindolizin-7-one?
The IUPAC name of (5R,8aS)-2-methylidene-5-phenyl-1,3,5,6,8,8a-hexahydroindolizin-7-one (CID 11333630) is (5R,8aS)-2-methylidene-5-phenyl-1,3,5,6,8,8a-hexahydroindolizin-7-one.
What is the SMILES notation for (5R,8aS)-2-methylidene-5-phenyl-1,3,5,6,8,8a-hexahydroindolizin-7-one?
The canonical SMILES for (5R,8aS)-2-methylidene-5-phenyl-1,3,5,6,8,8a-hexahydroindolizin-7-one is C=C1C[C@H]2CC(=O)C[C@H](c3ccccc3)N2C1.
What is the InChIKey of (5R,8aS)-2-methylidene-5-phenyl-1,3,5,6,8,8a-hexahydroindolizin-7-one?
The InChIKey is RYLREZODOJEOER-DZGCQCFKSA-N. The full InChI is InChI=1S/C15H17NO/c1-11-7-13-8-14(17)9-15(16(13)10-11)12-5-3-2-4-6-12/h2-6,13,15H,1,7-10H2/t13-,15+/m0/s1.
What are the key properties of (5R,8aS)-2-methylidene-5-phenyl-1,3,5,6,8,8a-hexahydroindolizin-7-one?
(5R,8aS)-2-methylidene-5-phenyl-1,3,5,6,8,8a-hexahydroindolizin-7-one has a molecular weight of 227.31 g/mol, XLogP of 2.72, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,8aS)-2-methylidene-5-phenyl-1,3,5,6,8,8a-hexahydroindolizin-7-one is sourced from PubChem (CID 11333630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).