4-benzyl-2,7-dimethyl-1,3-dihydropyrrolo[3,4-b]indole

C19H20N2 — CID 58159616

IUPAC4-benzyl-2,7-dimethyl-1,3-dihydropyrrolo[3,4-b]indole
SMILESCc1ccc2c(c1)c1c(n2Cc2ccccc2)CN(C)C1
InChIInChI=1S/C19H20N2/c1-14-8-9-18-16(10-14)17-12-20(2)13-19(17)21(18)11-15-6-4-3-5-7-15/h3-10H,11-13H2,1-2H3
InChIKeyKSOZWHFWMLZXMA-UHFFFAOYSA-N
MW276.38 g/mol
LogP3.94
Rot. Bonds2

About 4-benzyl-2,7-dimethyl-1,3-dihydropyrrolo[3,4-b]indole

4-benzyl-2,7-dimethyl-1,3-dihydropyrrolo[3,4-b]indole (PubChem CID 58159616) has the molecular formula C19H20N2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 4-benzyl-2,7-dimethyl-1,3-dihydropyrrolo[3,4-b]indole.

Molecular Properties

Compound Name4-benzyl-2,7-dimethyl-1,3-dihydropyrrolo[3,4-b]indole
PubChem CID58159616
Molecular FormulaC19H20N2
Molecular Weight276.38 g/mol
Exact Mass276.16
IUPAC Name4-benzyl-2,7-dimethyl-1,3-dihydropyrrolo[3,4-b]indole
SMILESCc1ccc2c(c1)c1c(n2Cc2ccccc2)CN(C)C1
InChIInChI=1S/C19H20N2/c1-14-8-9-18-16(10-14)17-12-20(2)13-19(17)21(18)11-15-6-4-3-5-7-15/h3-10H,11-13H2,1-2H3
InChIKeyKSOZWHFWMLZXMA-UHFFFAOYSA-N
XLogP3.94
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-benzyl-2,7-dimethyl-1,3-dihydropyrrolo[3,4-b]indole?
The IUPAC name of 4-benzyl-2,7-dimethyl-1,3-dihydropyrrolo[3,4-b]indole (CID 58159616) is 4-benzyl-2,7-dimethyl-1,3-dihydropyrrolo[3,4-b]indole.
What is the SMILES notation for 4-benzyl-2,7-dimethyl-1,3-dihydropyrrolo[3,4-b]indole?
The canonical SMILES for 4-benzyl-2,7-dimethyl-1,3-dihydropyrrolo[3,4-b]indole is Cc1ccc2c(c1)c1c(n2Cc2ccccc2)CN(C)C1.
What is the InChIKey of 4-benzyl-2,7-dimethyl-1,3-dihydropyrrolo[3,4-b]indole?
The InChIKey is KSOZWHFWMLZXMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2/c1-14-8-9-18-16(10-14)17-12-20(2)13-19(17)21(18)11-15-6-4-3-5-7-15/h3-10H,11-13H2,1-2H3.
What are the key properties of 4-benzyl-2,7-dimethyl-1,3-dihydropyrrolo[3,4-b]indole?
4-benzyl-2,7-dimethyl-1,3-dihydropyrrolo[3,4-b]indole has a molecular weight of 276.38 g/mol, XLogP of 3.94, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-2,7-dimethyl-1,3-dihydropyrrolo[3,4-b]indole is sourced from PubChem (CID 58159616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).