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

C15H23N3O — CID 66242344

IUPAC5-[(6-methoxy-2-pyridinyl)methyl]-4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole
SMILESCOc1cccc(CN2CC3CNCC3C2(C)C)n1
InChIInChI=1S/C15H23N3O/c1-15(2)13-8-16-7-11(13)9-18(15)10-12-5-4-6-14(17-12)19-3/h4-6,11,13,16H,7-10H2,1-3H3
InChIKeyJHBFNBDICVHCIK-UHFFFAOYSA-N
MW261.37 g/mol
LogP1.52
Rot. Bonds3

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

5-[(6-methoxy-2-pyridinyl)methyl]-4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole (PubChem CID 66242344) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 5-[(6-methoxy-2-pyridinyl)methyl]-4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole.

Molecular Properties

Compound Name5-[(6-methoxy-2-pyridinyl)methyl]-4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole
PubChem CID66242344
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name5-[(6-methoxy-2-pyridinyl)methyl]-4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole
SMILESCOc1cccc(CN2CC3CNCC3C2(C)C)n1
InChIInChI=1S/C15H23N3O/c1-15(2)13-8-16-7-11(13)9-18(15)10-12-5-4-6-14(17-12)19-3/h4-6,11,13,16H,7-10H2,1-3H3
InChIKeyJHBFNBDICVHCIK-UHFFFAOYSA-N
XLogP1.52
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-[(6-methoxy-2-pyridinyl)methyl]-4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[(6-methoxy-2-pyridinyl)methyl]-4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole?
The IUPAC name of 5-[(6-methoxy-2-pyridinyl)methyl]-4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole (CID 66242344) is 5-[(6-methoxy-2-pyridinyl)methyl]-4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole.
What is the SMILES notation for 5-[(6-methoxy-2-pyridinyl)methyl]-4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole?
The canonical SMILES for 5-[(6-methoxy-2-pyridinyl)methyl]-4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole is COc1cccc(CN2CC3CNCC3C2(C)C)n1.
What is the InChIKey of 5-[(6-methoxy-2-pyridinyl)methyl]-4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole?
The InChIKey is JHBFNBDICVHCIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-15(2)13-8-16-7-11(13)9-18(15)10-12-5-4-6-14(17-12)19-3/h4-6,11,13,16H,7-10H2,1-3H3.
What are the key properties of 5-[(6-methoxy-2-pyridinyl)methyl]-4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole?
5-[(6-methoxy-2-pyridinyl)methyl]-4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole has a molecular weight of 261.37 g/mol, XLogP of 1.52, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(6-methoxy-2-pyridinyl)methyl]-4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole is sourced from PubChem (CID 66242344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).