2,2-dimethyl-6,7-diphenyl-1,3-dihydropyrrolizine

C21H21N — CID 14027414

IUPAC2,2-dimethyl-6,7-diphenyl-1,3-dihydropyrrolizine
SMILESCC1(C)Cc2c(-c3ccccc3)c(-c3ccccc3)cn2C1
InChIInChI=1S/C21H21N/c1-21(2)13-19-20(17-11-7-4-8-12-17)18(14-22(19)15-21)16-9-5-3-6-10-16/h3-12,14H,13,15H2,1-2H3
InChIKeyWBSURMAWILHLRT-UHFFFAOYSA-N
MW287.41 g/mol
LogP5.40
Rot. Bonds2

About 2,2-dimethyl-6,7-diphenyl-1,3-dihydropyrrolizine

2,2-dimethyl-6,7-diphenyl-1,3-dihydropyrrolizine (PubChem CID 14027414) has the molecular formula C21H21N and a molecular weight of 287.41 g/mol. Its IUPAC name is 2,2-dimethyl-6,7-diphenyl-1,3-dihydropyrrolizine.

Molecular Properties

Compound Name2,2-dimethyl-6,7-diphenyl-1,3-dihydropyrrolizine
PubChem CID14027414
Molecular FormulaC21H21N
Molecular Weight287.41 g/mol
Exact Mass287.17
IUPAC Name2,2-dimethyl-6,7-diphenyl-1,3-dihydropyrrolizine
SMILESCC1(C)Cc2c(-c3ccccc3)c(-c3ccccc3)cn2C1
InChIInChI=1S/C21H21N/c1-21(2)13-19-20(17-11-7-4-8-12-17)18(14-22(19)15-21)16-9-5-3-6-10-16/h3-12,14H,13,15H2,1-2H3
InChIKeyWBSURMAWILHLRT-UHFFFAOYSA-N
XLogP5.40
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500287.41
LogP ≤ 55.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-6,7-diphenyl-1,3-dihydropyrrolizine?
The IUPAC name of 2,2-dimethyl-6,7-diphenyl-1,3-dihydropyrrolizine (CID 14027414) is 2,2-dimethyl-6,7-diphenyl-1,3-dihydropyrrolizine.
What is the SMILES notation for 2,2-dimethyl-6,7-diphenyl-1,3-dihydropyrrolizine?
The canonical SMILES for 2,2-dimethyl-6,7-diphenyl-1,3-dihydropyrrolizine is CC1(C)Cc2c(-c3ccccc3)c(-c3ccccc3)cn2C1.
What is the InChIKey of 2,2-dimethyl-6,7-diphenyl-1,3-dihydropyrrolizine?
The InChIKey is WBSURMAWILHLRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N/c1-21(2)13-19-20(17-11-7-4-8-12-17)18(14-22(19)15-21)16-9-5-3-6-10-16/h3-12,14H,13,15H2,1-2H3.
What are the key properties of 2,2-dimethyl-6,7-diphenyl-1,3-dihydropyrrolizine?
2,2-dimethyl-6,7-diphenyl-1,3-dihydropyrrolizine has a molecular weight of 287.41 g/mol, XLogP of 5.40, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-6,7-diphenyl-1,3-dihydropyrrolizine is sourced from PubChem (CID 14027414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).