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

C16H24N2O — CID 66213217

IUPAC5-[[3-(methoxymethyl)phenyl]methyl]-4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
SMILESCOCc1cccc(CN2CC3CNCC3C2C)c1
InChIInChI=1S/C16H24N2O/c1-12-16-8-17-7-15(16)10-18(12)9-13-4-3-5-14(6-13)11-19-2/h3-6,12,15-17H,7-11H2,1-2H3
InChIKeyUGCDSRADHWOZJE-UHFFFAOYSA-N
MW260.38 g/mol
LogP1.87
Rot. Bonds4

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

5-[[3-(methoxymethyl)phenyl]methyl]-4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole (PubChem CID 66213217) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 5-[[3-(methoxymethyl)phenyl]methyl]-4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole.

Molecular Properties

Compound Name5-[[3-(methoxymethyl)phenyl]methyl]-4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
PubChem CID66213217
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name5-[[3-(methoxymethyl)phenyl]methyl]-4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
SMILESCOCc1cccc(CN2CC3CNCC3C2C)c1
InChIInChI=1S/C16H24N2O/c1-12-16-8-17-7-15(16)10-18(12)9-13-4-3-5-14(6-13)11-19-2/h3-6,12,15-17H,7-11H2,1-2H3
InChIKeyUGCDSRADHWOZJE-UHFFFAOYSA-N
XLogP1.87
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-5-[(3-propan-2-yloxyphenyl)methyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 66213227
4-methyl-5-[(4-phenylmethoxyphenyl)methyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 113242470
4-methyl-5-(thiophen-3-ylmethyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 66210690
5-[(3,5-difluorophenyl)methyl]-4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 105404951
5-[(4-bromophenyl)methyl]-4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 66213416
4-methyl-5-(naphthalen-1-ylmethyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 66211652
4-methyl-5-[(4-propoxyphenyl)methyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 66212254
5-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 66212239
5-[(2-methoxy-5-methylphenyl)methyl]-4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 66209809
5-[(2,5-dimethoxyphenyl)methyl]-4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 66210698
4-methyl-5-(pyrimidin-2-ylmethyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 66208651
5-[(2-fluorophenyl)methyl]-4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 66210692

Frequently Asked Questions

What is the IUPAC name of 5-[[3-(methoxymethyl)phenyl]methyl]-4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole?
The IUPAC name of 5-[[3-(methoxymethyl)phenyl]methyl]-4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole (CID 66213217) is 5-[[3-(methoxymethyl)phenyl]methyl]-4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole.
What is the SMILES notation for 5-[[3-(methoxymethyl)phenyl]methyl]-4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole?
The canonical SMILES for 5-[[3-(methoxymethyl)phenyl]methyl]-4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole is COCc1cccc(CN2CC3CNCC3C2C)c1.
What is the InChIKey of 5-[[3-(methoxymethyl)phenyl]methyl]-4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole?
The InChIKey is UGCDSRADHWOZJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-12-16-8-17-7-15(16)10-18(12)9-13-4-3-5-14(6-13)11-19-2/h3-6,12,15-17H,7-11H2,1-2H3.
What are the key properties of 5-[[3-(methoxymethyl)phenyl]methyl]-4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole?
5-[[3-(methoxymethyl)phenyl]methyl]-4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole has a molecular weight of 260.38 g/mol, XLogP of 1.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-(methoxymethyl)phenyl]methyl]-4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole is sourced from PubChem (CID 66213217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).