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

C19H22N2O — CID 57467092

IUPAC5-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-2-phenylphenol
SMILESCN1CC2CN(c3ccc(-c4ccccc4)c(O)c3)CC2C1
InChIInChI=1S/C19H22N2O/c1-20-10-15-12-21(13-16(15)11-20)17-7-8-18(19(22)9-17)14-5-3-2-4-6-14/h2-9,15-16,22H,10-13H2,1H3
InChIKeyLJPRRSJHLTXACD-UHFFFAOYSA-N
MW294.40 g/mol
LogP3.06
Rot. Bonds2

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

5-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-2-phenylphenol (PubChem CID 57467092) has the molecular formula C19H22N2O and a molecular weight of 294.40 g/mol. Its IUPAC name is 5-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-2-phenylphenol.

Molecular Properties

Compound Name5-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-2-phenylphenol
PubChem CID57467092
Molecular FormulaC19H22N2O
Molecular Weight294.40 g/mol
Exact Mass294.17
IUPAC Name5-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-2-phenylphenol
SMILESCN1CC2CN(c3ccc(-c4ccccc4)c(O)c3)CC2C1
InChIInChI=1S/C19H22N2O/c1-20-10-15-12-21(13-16(15)11-20)17-7-8-18(19(22)9-17)14-5-3-2-4-6-14/h2-9,15-16,22H,10-13H2,1H3
InChIKeyLJPRRSJHLTXACD-UHFFFAOYSA-N
XLogP3.06
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-2-phenylphenol?
The IUPAC name of 5-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-2-phenylphenol (CID 57467092) is 5-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-2-phenylphenol.
What is the SMILES notation for 5-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-2-phenylphenol?
The canonical SMILES for 5-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-2-phenylphenol is CN1CC2CN(c3ccc(-c4ccccc4)c(O)c3)CC2C1.
What is the InChIKey of 5-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-2-phenylphenol?
The InChIKey is LJPRRSJHLTXACD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O/c1-20-10-15-12-21(13-16(15)11-20)17-7-8-18(19(22)9-17)14-5-3-2-4-6-14/h2-9,15-16,22H,10-13H2,1H3.
What are the key properties of 5-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-2-phenylphenol?
5-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-2-phenylphenol has a molecular weight of 294.40 g/mol, XLogP of 3.06, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-2-phenylphenol is sourced from PubChem (CID 57467092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).