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

C15H23N3O — CID 66208355

IUPAC4-ethyl-5-[(6-methoxy-2-pyridinyl)methyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
SMILESCCC1C2CNCC2CN1Cc1cccc(OC)n1
InChIInChI=1S/C15H23N3O/c1-3-14-13-8-16-7-11(13)9-18(14)10-12-5-4-6-15(17-12)19-2/h4-6,11,13-14,16H,3,7-10H2,1-2H3
InChIKeyVKWPDWSYHCEIBT-UHFFFAOYSA-N
MW261.37 g/mol
LogP1.52
Rot. Bonds4

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

4-ethyl-5-[(6-methoxy-2-pyridinyl)methyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole (PubChem CID 66208355) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 4-ethyl-5-[(6-methoxy-2-pyridinyl)methyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole.

Molecular Properties

Compound Name4-ethyl-5-[(6-methoxy-2-pyridinyl)methyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
PubChem CID66208355
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name4-ethyl-5-[(6-methoxy-2-pyridinyl)methyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
SMILESCCC1C2CNCC2CN1Cc1cccc(OC)n1
InChIInChI=1S/C15H23N3O/c1-3-14-13-8-16-7-11(13)9-18(14)10-12-5-4-6-15(17-12)19-2/h4-6,11,13-14,16H,3,7-10H2,1-2H3
InChIKeyVKWPDWSYHCEIBT-UHFFFAOYSA-N
XLogP1.52
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
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

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-5-[(6-methoxy-2-pyridinyl)methyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole?
The IUPAC name of 4-ethyl-5-[(6-methoxy-2-pyridinyl)methyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole (CID 66208355) is 4-ethyl-5-[(6-methoxy-2-pyridinyl)methyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole.
What is the SMILES notation for 4-ethyl-5-[(6-methoxy-2-pyridinyl)methyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole?
The canonical SMILES for 4-ethyl-5-[(6-methoxy-2-pyridinyl)methyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole is CCC1C2CNCC2CN1Cc1cccc(OC)n1.
What is the InChIKey of 4-ethyl-5-[(6-methoxy-2-pyridinyl)methyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole?
The InChIKey is VKWPDWSYHCEIBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-3-14-13-8-16-7-11(13)9-18(14)10-12-5-4-6-15(17-12)19-2/h4-6,11,13-14,16H,3,7-10H2,1-2H3.
What are the key properties of 4-ethyl-5-[(6-methoxy-2-pyridinyl)methyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole?
4-ethyl-5-[(6-methoxy-2-pyridinyl)methyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole has a molecular weight of 261.37 g/mol, XLogP of 1.52, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-5-[(6-methoxy-2-pyridinyl)methyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole is sourced from PubChem (CID 66208355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).