2-benzyl-4-methyl-3,9-dihydropyrrolo[3,4-b]carbazol-1-one

C22H18N2O — CID 135016773

IUPAC2-benzyl-4-methyl-3,9-dihydropyrrolo[3,4-b]carbazol-1-one
SMILESCc1c2c(cc3[nH]c4ccccc4c13)C(=O)N(Cc1ccccc1)C2
InChIInChI=1S/C22H18N2O/c1-14-18-13-24(12-15-7-3-2-4-8-15)22(25)17(18)11-20-21(14)16-9-5-6-10-19(16)23-20/h2-11,23H,12-13H2,1H3
InChIKeyYQHIBVWOPORDFM-UHFFFAOYSA-N
MW326.40 g/mol
LogP4.79
Rot. Bonds2

About 2-benzyl-4-methyl-3,9-dihydropyrrolo[3,4-b]carbazol-1-one

2-benzyl-4-methyl-3,9-dihydropyrrolo[3,4-b]carbazol-1-one (PubChem CID 135016773) has the molecular formula C22H18N2O and a molecular weight of 326.40 g/mol. Its IUPAC name is 2-benzyl-4-methyl-3,9-dihydropyrrolo[3,4-b]carbazol-1-one.

Molecular Properties

Compound Name2-benzyl-4-methyl-3,9-dihydropyrrolo[3,4-b]carbazol-1-one
PubChem CID135016773
Molecular FormulaC22H18N2O
Molecular Weight326.40 g/mol
Exact Mass326.14
IUPAC Name2-benzyl-4-methyl-3,9-dihydropyrrolo[3,4-b]carbazol-1-one
SMILESCc1c2c(cc3[nH]c4ccccc4c13)C(=O)N(Cc1ccccc1)C2
InChIInChI=1S/C22H18N2O/c1-14-18-13-24(12-15-7-3-2-4-8-15)22(25)17(18)11-20-21(14)16-9-5-6-10-19(16)23-20/h2-11,23H,12-13H2,1H3
InChIKeyYQHIBVWOPORDFM-UHFFFAOYSA-N
XLogP4.79
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-4-methyl-3,9-dihydropyrrolo[3,4-b]carbazol-1-one?
The IUPAC name of 2-benzyl-4-methyl-3,9-dihydropyrrolo[3,4-b]carbazol-1-one (CID 135016773) is 2-benzyl-4-methyl-3,9-dihydropyrrolo[3,4-b]carbazol-1-one.
What is the SMILES notation for 2-benzyl-4-methyl-3,9-dihydropyrrolo[3,4-b]carbazol-1-one?
The canonical SMILES for 2-benzyl-4-methyl-3,9-dihydropyrrolo[3,4-b]carbazol-1-one is Cc1c2c(cc3[nH]c4ccccc4c13)C(=O)N(Cc1ccccc1)C2.
What is the InChIKey of 2-benzyl-4-methyl-3,9-dihydropyrrolo[3,4-b]carbazol-1-one?
The InChIKey is YQHIBVWOPORDFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O/c1-14-18-13-24(12-15-7-3-2-4-8-15)22(25)17(18)11-20-21(14)16-9-5-6-10-19(16)23-20/h2-11,23H,12-13H2,1H3.
What are the key properties of 2-benzyl-4-methyl-3,9-dihydropyrrolo[3,4-b]carbazol-1-one?
2-benzyl-4-methyl-3,9-dihydropyrrolo[3,4-b]carbazol-1-one has a molecular weight of 326.40 g/mol, XLogP of 4.79, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-4-methyl-3,9-dihydropyrrolo[3,4-b]carbazol-1-one is sourced from PubChem (CID 135016773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).