2-methyl-5-(6-phenyl-3-pyridinyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole

C18H21N3 — CID 25156769

IUPAC2-methyl-5-(6-phenyl-3-pyridinyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
SMILESCN1CC2CN(c3ccc(-c4ccccc4)nc3)CC2C1
InChIInChI=1S/C18H21N3/c1-20-10-15-12-21(13-16(15)11-20)17-7-8-18(19-9-17)14-5-3-2-4-6-14/h2-9,15-16H,10-13H2,1H3
InChIKeyUJLKEVKJFLTZAG-UHFFFAOYSA-N
MW279.39 g/mol
LogP2.75
Rot. Bonds2

About 2-methyl-5-(6-phenyl-3-pyridinyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole

2-methyl-5-(6-phenyl-3-pyridinyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole (PubChem CID 25156769) has the molecular formula C18H21N3 and a molecular weight of 279.39 g/mol. Its IUPAC name is 2-methyl-5-(6-phenyl-3-pyridinyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole.

Molecular Properties

Compound Name2-methyl-5-(6-phenyl-3-pyridinyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
PubChem CID25156769
Molecular FormulaC18H21N3
Molecular Weight279.39 g/mol
Exact Mass279.17
IUPAC Name2-methyl-5-(6-phenyl-3-pyridinyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
SMILESCN1CC2CN(c3ccc(-c4ccccc4)nc3)CC2C1
InChIInChI=1S/C18H21N3/c1-20-10-15-12-21(13-16(15)11-20)17-7-8-18(19-9-17)14-5-3-2-4-6-14/h2-9,15-16H,10-13H2,1H3
InChIKeyUJLKEVKJFLTZAG-UHFFFAOYSA-N
XLogP2.75
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.39
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(6-phenyl-3-pyridinyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole?
The IUPAC name of 2-methyl-5-(6-phenyl-3-pyridinyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole (CID 25156769) is 2-methyl-5-(6-phenyl-3-pyridinyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole.
What is the SMILES notation for 2-methyl-5-(6-phenyl-3-pyridinyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole?
The canonical SMILES for 2-methyl-5-(6-phenyl-3-pyridinyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole is CN1CC2CN(c3ccc(-c4ccccc4)nc3)CC2C1.
What is the InChIKey of 2-methyl-5-(6-phenyl-3-pyridinyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole?
The InChIKey is UJLKEVKJFLTZAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3/c1-20-10-15-12-21(13-16(15)11-20)17-7-8-18(19-9-17)14-5-3-2-4-6-14/h2-9,15-16H,10-13H2,1H3.
What are the key properties of 2-methyl-5-(6-phenyl-3-pyridinyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole?
2-methyl-5-(6-phenyl-3-pyridinyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole has a molecular weight of 279.39 g/mol, XLogP of 2.75, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(6-phenyl-3-pyridinyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole is sourced from PubChem (CID 25156769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).