(2E,8R)-2-[(4-methoxyphenyl)methylidene]-6,6-diphenyl-1,5,7,8-tetrahydropyrrolizin-3-one

C27H25NO2 — CID 132551759

IUPAC(2E,8R)-2-[(4-methoxyphenyl)methylidene]-6,6-diphenyl-1,5,7,8-tetrahydropyrrolizin-3-one
SMILESCOc1ccc(/C=C2\C[C@H]3CC(c4ccccc4)(c4ccccc4)CN3C2=O)cc1
InChIInChI=1S/C27H25NO2/c1-30-25-14-12-20(13-15-25)16-21-17-24-18-27(19-28(24)26(21)29,22-8-4-2-5-9-22)23-10-6-3-7-11-23/h2-16,24H,17-19H2,1H3/b21-16+/t24-/m0/s1
InChIKeyUDNWPFXIALTTEP-VGBYGFDOSA-N
MW395.50 g/mol
LogP5.07
Rot. Bonds4

About (2E,8R)-2-[(4-methoxyphenyl)methylidene]-6,6-diphenyl-1,5,7,8-tetrahydropyrrolizin-3-one

(2E,8R)-2-[(4-methoxyphenyl)methylidene]-6,6-diphenyl-1,5,7,8-tetrahydropyrrolizin-3-one (PubChem CID 132551759) has the molecular formula C27H25NO2 and a molecular weight of 395.50 g/mol. Its IUPAC name is (2E,8R)-2-[(4-methoxyphenyl)methylidene]-6,6-diphenyl-1,5,7,8-tetrahydropyrrolizin-3-one.

Molecular Properties

Compound Name(2E,8R)-2-[(4-methoxyphenyl)methylidene]-6,6-diphenyl-1,5,7,8-tetrahydropyrrolizin-3-one
PubChem CID132551759
Molecular FormulaC27H25NO2
Molecular Weight395.50 g/mol
Exact Mass395.19
IUPAC Name(2E,8R)-2-[(4-methoxyphenyl)methylidene]-6,6-diphenyl-1,5,7,8-tetrahydropyrrolizin-3-one
SMILESCOc1ccc(/C=C2\C[C@H]3CC(c4ccccc4)(c4ccccc4)CN3C2=O)cc1
InChIInChI=1S/C27H25NO2/c1-30-25-14-12-20(13-15-25)16-21-17-24-18-27(19-28(24)26(21)29,22-8-4-2-5-9-22)23-10-6-3-7-11-23/h2-16,24H,17-19H2,1H3/b21-16+/t24-/m0/s1
InChIKeyUDNWPFXIALTTEP-VGBYGFDOSA-N
XLogP5.07
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.50
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (2E,8R)-2-[(4-methoxyphenyl)methylidene]-6,6-diphenyl-1,5,7,8-tetrahydropyrrolizin-3-one with MolForge

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Related Compounds

(5E)-5-[(4-methoxyphenyl)methylidene]-1-phenyl-1,3-diazinane-2,4,6-trione
CID 2054849
(2E,6Z)-2-[(4-methoxyphenyl)methylidene]-6-[(4-phenylphenyl)methylidene]cyclohexan-1-one
CID 2313566
(3Z,5Z)-1-benzyl-3,5-bis[(4-methoxyphenyl)methylidene]piperidin-4-one
CID 6966481
(5Z)-5-[(4-methoxyphenyl)methylidene]-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one
CID 6068845
5-chloro-1-[(4-methoxyphenyl)methyl]-3,3-diphenylpiperidine
CID 102434786
(3E)-3-[(4-methoxyphenyl)methylidene]pyrrolidine-2,5-dione
CID 160654115
(3Z)-7-methoxy-3-[(4-methoxyphenyl)methylidene]chromen-4-one
CID 6444482
4-[(4-methoxyphenyl)methylidene]-2-phenyl-6-oxa-2-azaspiro[4.5]decane-1,3-dione
CID 171340582
(3Z)-3-benzylidene-1-(4-methoxyphenyl)-4-phenylazetidin-2-one
CID 10640985
(5Z)-3-(2-chlorophenyl)-5-[(4-methoxyphenyl)methylidene]-2-phenylimidazol-4-one
CID 1275103
3-cyclopropyl-5-[(4-methoxyphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one
CID 53396065
(2Z)-2-[(4-methoxyphenyl)methylidene]-3-phenylcyclohexan-1-one
CID 68642813

Frequently Asked Questions

What is the IUPAC name of (2E,8R)-2-[(4-methoxyphenyl)methylidene]-6,6-diphenyl-1,5,7,8-tetrahydropyrrolizin-3-one?
The IUPAC name of (2E,8R)-2-[(4-methoxyphenyl)methylidene]-6,6-diphenyl-1,5,7,8-tetrahydropyrrolizin-3-one (CID 132551759) is (2E,8R)-2-[(4-methoxyphenyl)methylidene]-6,6-diphenyl-1,5,7,8-tetrahydropyrrolizin-3-one.
What is the SMILES notation for (2E,8R)-2-[(4-methoxyphenyl)methylidene]-6,6-diphenyl-1,5,7,8-tetrahydropyrrolizin-3-one?
The canonical SMILES for (2E,8R)-2-[(4-methoxyphenyl)methylidene]-6,6-diphenyl-1,5,7,8-tetrahydropyrrolizin-3-one is COc1ccc(/C=C2\C[C@H]3CC(c4ccccc4)(c4ccccc4)CN3C2=O)cc1.
What is the InChIKey of (2E,8R)-2-[(4-methoxyphenyl)methylidene]-6,6-diphenyl-1,5,7,8-tetrahydropyrrolizin-3-one?
The InChIKey is UDNWPFXIALTTEP-VGBYGFDOSA-N. The full InChI is InChI=1S/C27H25NO2/c1-30-25-14-12-20(13-15-25)16-21-17-24-18-27(19-28(24)26(21)29,22-8-4-2-5-9-22)23-10-6-3-7-11-23/h2-16,24H,17-19H2,1H3/b21-16+/t24-/m0/s1.
What are the key properties of (2E,8R)-2-[(4-methoxyphenyl)methylidene]-6,6-diphenyl-1,5,7,8-tetrahydropyrrolizin-3-one?
(2E,8R)-2-[(4-methoxyphenyl)methylidene]-6,6-diphenyl-1,5,7,8-tetrahydropyrrolizin-3-one has a molecular weight of 395.50 g/mol, XLogP of 5.07, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,8R)-2-[(4-methoxyphenyl)methylidene]-6,6-diphenyl-1,5,7,8-tetrahydropyrrolizin-3-one is sourced from PubChem (CID 132551759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).