5-(6-phenyl-3-pyridinyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole

C17H19N3 — CID 25155668

IUPAC5-(6-phenyl-3-pyridinyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
SMILESc1ccc(-c2ccc(N3CC4CNCC4C3)cn2)cc1
InChIInChI=1S/C17H19N3/c1-2-4-13(5-3-1)17-7-6-16(10-19-17)20-11-14-8-18-9-15(14)12-20/h1-7,10,14-15,18H,8-9,11-12H2
InChIKeyOREHKCAJBKZGSF-UHFFFAOYSA-N
MW265.36 g/mol
LogP2.40
Rot. Bonds2

About 5-(6-phenyl-3-pyridinyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole

5-(6-phenyl-3-pyridinyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole (PubChem CID 25155668) has the molecular formula C17H19N3 and a molecular weight of 265.36 g/mol. Its IUPAC name is 5-(6-phenyl-3-pyridinyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole.

Molecular Properties

Compound Name5-(6-phenyl-3-pyridinyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
PubChem CID25155668
Molecular FormulaC17H19N3
Molecular Weight265.36 g/mol
Exact Mass265.16
IUPAC Name5-(6-phenyl-3-pyridinyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
SMILESc1ccc(-c2ccc(N3CC4CNCC4C3)cn2)cc1
InChIInChI=1S/C17H19N3/c1-2-4-13(5-3-1)17-7-6-16(10-19-17)20-11-14-8-18-9-15(14)12-20/h1-7,10,14-15,18H,8-9,11-12H2
InChIKeyOREHKCAJBKZGSF-UHFFFAOYSA-N
XLogP2.40
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(6-phenyl-3-pyridinyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole?
The IUPAC name of 5-(6-phenyl-3-pyridinyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole (CID 25155668) is 5-(6-phenyl-3-pyridinyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole.
What is the SMILES notation for 5-(6-phenyl-3-pyridinyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole?
The canonical SMILES for 5-(6-phenyl-3-pyridinyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole is c1ccc(-c2ccc(N3CC4CNCC4C3)cn2)cc1.
What is the InChIKey of 5-(6-phenyl-3-pyridinyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole?
The InChIKey is OREHKCAJBKZGSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3/c1-2-4-13(5-3-1)17-7-6-16(10-19-17)20-11-14-8-18-9-15(14)12-20/h1-7,10,14-15,18H,8-9,11-12H2.
What are the key properties of 5-(6-phenyl-3-pyridinyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole?
5-(6-phenyl-3-pyridinyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole has a molecular weight of 265.36 g/mol, XLogP of 2.40, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-phenyl-3-pyridinyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole is sourced from PubChem (CID 25155668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).