5-[(4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)methyl]-2-methoxyphenol

C16H24N2O2 — CID 66210329

IUPAC5-[(4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)methyl]-2-methoxyphenol
SMILESCOc1ccc(CN2CC3CNCC3C2(C)C)cc1O
InChIInChI=1S/C16H24N2O2/c1-16(2)13-8-17-7-12(13)10-18(16)9-11-4-5-15(20-3)14(19)6-11/h4-6,12-13,17,19H,7-10H2,1-3H3
InChIKeyIQMPLTDDRGJQDK-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.83
Rot. Bonds3

About 5-[(4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)methyl]-2-methoxyphenol

5-[(4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)methyl]-2-methoxyphenol (PubChem CID 66210329) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 5-[(4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)methyl]-2-methoxyphenol.

Molecular Properties

Compound Name5-[(4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)methyl]-2-methoxyphenol
PubChem CID66210329
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name5-[(4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)methyl]-2-methoxyphenol
SMILESCOc1ccc(CN2CC3CNCC3C2(C)C)cc1O
InChIInChI=1S/C16H24N2O2/c1-16(2)13-8-17-7-12(13)10-18(16)9-11-4-5-15(20-3)14(19)6-11/h4-6,12-13,17,19H,7-10H2,1-3H3
InChIKeyIQMPLTDDRGJQDK-UHFFFAOYSA-N
XLogP1.83
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-[(4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)methyl]-2-methoxyphenol with MolForge

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

Launch Full Analysis

Related Compounds

5-[(4-methoxy-3-methylphenyl)methyl]-4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 66208208
2-[(4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)methyl]-5-methoxyphenol
CID 66241881
methyl 4-[(4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)methyl]benzoate
CID 66209361
4,4-dimethyl-5-(pyridin-4-ylmethyl)-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 66243738
4,4-dimethyl-5-[(4-propan-2-yloxyphenyl)methyl]-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 66241671
4,4-dimethyl-5-[(3-nitrophenyl)methyl]-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 66208783
5-[(4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)methyl]-2-fluorobenzonitrile
CID 107883111
5-[(6-chloro-3-pyridinyl)methyl]-4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 66241922
5-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)-2-methoxyphenol
CID 82982928
5-[(2,4-dimethylpyrrolidin-1-yl)methyl]-2-methoxyphenol
CID 113346191
5-[(5-ethylfuran-2-yl)methyl]-4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 66242300
5-[(2-ethylphenyl)methyl]-4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 66209948

Frequently Asked Questions

What is the IUPAC name of 5-[(4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)methyl]-2-methoxyphenol?
The IUPAC name of 5-[(4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)methyl]-2-methoxyphenol (CID 66210329) is 5-[(4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)methyl]-2-methoxyphenol.
What is the SMILES notation for 5-[(4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)methyl]-2-methoxyphenol?
The canonical SMILES for 5-[(4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)methyl]-2-methoxyphenol is COc1ccc(CN2CC3CNCC3C2(C)C)cc1O.
What is the InChIKey of 5-[(4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)methyl]-2-methoxyphenol?
The InChIKey is IQMPLTDDRGJQDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-16(2)13-8-17-7-12(13)10-18(16)9-11-4-5-15(20-3)14(19)6-11/h4-6,12-13,17,19H,7-10H2,1-3H3.
What are the key properties of 5-[(4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)methyl]-2-methoxyphenol?
5-[(4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)methyl]-2-methoxyphenol has a molecular weight of 276.38 g/mol, XLogP of 1.83, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)methyl]-2-methoxyphenol is sourced from PubChem (CID 66210329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).