(2E)-2-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-dihydropyrrolizine

C17H19NO3 — CID 175757924

IUPAC(2E)-2-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-dihydropyrrolizine
SMILESCOc1cc(/C=C2\Cc3cccn3C2)cc(OC)c1OC
InChIInChI=1S/C17H19NO3/c1-19-15-9-12(10-16(20-2)17(15)21-3)7-13-8-14-5-4-6-18(14)11-13/h4-7,9-10H,8,11H2,1-3H3/b13-7+
InChIKeyWOGGGLNMHVRDPB-NTUHNPAUSA-N
MW285.34 g/mol
LogP3.15
Rot. Bonds4

About (2E)-2-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-dihydropyrrolizine

(2E)-2-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-dihydropyrrolizine (PubChem CID 175757924) has the molecular formula C17H19NO3 and a molecular weight of 285.34 g/mol. Its IUPAC name is (2E)-2-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-dihydropyrrolizine.

Molecular Properties

Compound Name(2E)-2-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-dihydropyrrolizine
PubChem CID175757924
Molecular FormulaC17H19NO3
Molecular Weight285.34 g/mol
Exact Mass285.14
IUPAC Name(2E)-2-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-dihydropyrrolizine
SMILESCOc1cc(/C=C2\Cc3cccn3C2)cc(OC)c1OC
InChIInChI=1S/C17H19NO3/c1-19-15-9-12(10-16(20-2)17(15)21-3)7-13-8-14-5-4-6-18(14)11-13/h4-7,9-10H,8,11H2,1-3H3/b13-7+
InChIKeyWOGGGLNMHVRDPB-NTUHNPAUSA-N
XLogP3.15
TPSA32.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2E)-2-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-dihydropyrrolizine?
The IUPAC name of (2E)-2-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-dihydropyrrolizine (CID 175757924) is (2E)-2-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-dihydropyrrolizine.
What is the SMILES notation for (2E)-2-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-dihydropyrrolizine?
The canonical SMILES for (2E)-2-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-dihydropyrrolizine is COc1cc(/C=C2\Cc3cccn3C2)cc(OC)c1OC.
What is the InChIKey of (2E)-2-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-dihydropyrrolizine?
The InChIKey is WOGGGLNMHVRDPB-NTUHNPAUSA-N. The full InChI is InChI=1S/C17H19NO3/c1-19-15-9-12(10-16(20-2)17(15)21-3)7-13-8-14-5-4-6-18(14)11-13/h4-7,9-10H,8,11H2,1-3H3/b13-7+.
What are the key properties of (2E)-2-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-dihydropyrrolizine?
(2E)-2-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-dihydropyrrolizine has a molecular weight of 285.34 g/mol, XLogP of 3.15, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-dihydropyrrolizine is sourced from PubChem (CID 175757924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).