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

C15H15N — CID 175733401

IUPAC(2E)-2-[(4-methylphenyl)methylidene]-1,3-dihydropyrrolizine
SMILESCc1ccc(/C=C2\Cc3cccn3C2)cc1
InChIInChI=1S/C15H15N/c1-12-4-6-13(7-5-12)9-14-10-15-3-2-8-16(15)11-14/h2-9H,10-11H2,1H3/b14-9+
InChIKeyQVFBGPYDWBBSIU-NTEUORMPSA-N
MW209.29 g/mol
LogP3.44
Rot. Bonds1

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

(2E)-2-[(4-methylphenyl)methylidene]-1,3-dihydropyrrolizine (PubChem CID 175733401) has the molecular formula C15H15N and a molecular weight of 209.29 g/mol. Its IUPAC name is (2E)-2-[(4-methylphenyl)methylidene]-1,3-dihydropyrrolizine.

Molecular Properties

Compound Name(2E)-2-[(4-methylphenyl)methylidene]-1,3-dihydropyrrolizine
PubChem CID175733401
Molecular FormulaC15H15N
Molecular Weight209.29 g/mol
Exact Mass209.12
IUPAC Name(2E)-2-[(4-methylphenyl)methylidene]-1,3-dihydropyrrolizine
SMILESCc1ccc(/C=C2\Cc3cccn3C2)cc1
InChIInChI=1S/C15H15N/c1-12-4-6-13(7-5-12)9-14-10-15-3-2-8-16(15)11-14/h2-9H,10-11H2,1H3/b14-9+
InChIKeyQVFBGPYDWBBSIU-NTEUORMPSA-N
XLogP3.44
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2E)-2-[(4-methylphenyl)methylidene]-1,3-dihydropyrrolizine?
The IUPAC name of (2E)-2-[(4-methylphenyl)methylidene]-1,3-dihydropyrrolizine (CID 175733401) is (2E)-2-[(4-methylphenyl)methylidene]-1,3-dihydropyrrolizine.
What is the SMILES notation for (2E)-2-[(4-methylphenyl)methylidene]-1,3-dihydropyrrolizine?
The canonical SMILES for (2E)-2-[(4-methylphenyl)methylidene]-1,3-dihydropyrrolizine is Cc1ccc(/C=C2\Cc3cccn3C2)cc1.
What is the InChIKey of (2E)-2-[(4-methylphenyl)methylidene]-1,3-dihydropyrrolizine?
The InChIKey is QVFBGPYDWBBSIU-NTEUORMPSA-N. The full InChI is InChI=1S/C15H15N/c1-12-4-6-13(7-5-12)9-14-10-15-3-2-8-16(15)11-14/h2-9H,10-11H2,1H3/b14-9+.
What are the key properties of (2E)-2-[(4-methylphenyl)methylidene]-1,3-dihydropyrrolizine?
(2E)-2-[(4-methylphenyl)methylidene]-1,3-dihydropyrrolizine has a molecular weight of 209.29 g/mol, XLogP of 3.44, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-[(4-methylphenyl)methylidene]-1,3-dihydropyrrolizine is sourced from PubChem (CID 175733401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).