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

C14H20N2O — CID 155345672

IUPAC5-[2-(methoxymethyl)phenyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
SMILESCOCc1ccccc1N1CC2CNCC2C1
InChIInChI=1S/C14H20N2O/c1-17-10-11-4-2-3-5-14(11)16-8-12-6-15-7-13(12)9-16/h2-5,12-13,15H,6-10H2,1H3
InChIKeyALTRDHMDGKIKNN-UHFFFAOYSA-N
MW232.33 g/mol
LogP1.49
Rot. Bonds3

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

5-[2-(methoxymethyl)phenyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole (PubChem CID 155345672) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 5-[2-(methoxymethyl)phenyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole.

Molecular Properties

Compound Name5-[2-(methoxymethyl)phenyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
PubChem CID155345672
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name5-[2-(methoxymethyl)phenyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
SMILESCOCc1ccccc1N1CC2CNCC2C1
InChIInChI=1S/C14H20N2O/c1-17-10-11-4-2-3-5-14(11)16-8-12-6-15-7-13(12)9-16/h2-5,12-13,15H,6-10H2,1H3
InChIKeyALTRDHMDGKIKNN-UHFFFAOYSA-N
XLogP1.49
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3aR,6aS)-5-(2-methoxyphenyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 71262063
3-cyclopropyl-1-[2-(methoxymethyl)phenyl]piperazine
CID 64926120
1-[2-(methoxymethyl)phenyl]-3-methylpiperazine
CID 64925935
[1-[2-(methoxymethyl)phenyl]pyrrolidin-3-yl]methanol
CID 64865830
1-[2-(methoxymethyl)phenyl]-3-propylpiperazine
CID 64925936
2-ethyl-1-[2-(methoxymethyl)phenyl]-5-methylpiperazine
CID 64936592
1-benzyl-4-[2-(methoxymethyl)phenyl]piperazine;1-[2-(methoxymethyl)phenyl]piperazine
CID 159879194
5-tert-butyl-2-ethyl-1-[2-(methoxymethyl)phenyl]piperazine
CID 64948188
2-ethyl-1-[2-(methoxymethyl)phenyl]-5,5-dimethylpiperazine
CID 64946267
3-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-4-methoxyaniline
CID 70202679
methyl 2-[2-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]phenyl]acetate
CID 10243876
1-[2-(methoxymethyl)phenyl]-3-methyl-1,4-diazepane-2,5-dione
CID 64965372

Frequently Asked Questions

What is the IUPAC name of 5-[2-(methoxymethyl)phenyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole?
The IUPAC name of 5-[2-(methoxymethyl)phenyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole (CID 155345672) is 5-[2-(methoxymethyl)phenyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole.
What is the SMILES notation for 5-[2-(methoxymethyl)phenyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole?
The canonical SMILES for 5-[2-(methoxymethyl)phenyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole is COCc1ccccc1N1CC2CNCC2C1.
What is the InChIKey of 5-[2-(methoxymethyl)phenyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole?
The InChIKey is ALTRDHMDGKIKNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-17-10-11-4-2-3-5-14(11)16-8-12-6-15-7-13(12)9-16/h2-5,12-13,15H,6-10H2,1H3.
What are the key properties of 5-[2-(methoxymethyl)phenyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole?
5-[2-(methoxymethyl)phenyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole has a molecular weight of 232.33 g/mol, XLogP of 1.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(methoxymethyl)phenyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole is sourced from PubChem (CID 155345672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).