6-(2-methoxyethyl)-1,2-dimethyl-5,7-dihydropyrrolo[3,4-f]indole-3-carbonitrile

C16H19N3O — CID 112540975

IUPAC6-(2-methoxyethyl)-1,2-dimethyl-5,7-dihydropyrrolo[3,4-f]indole-3-carbonitrile
SMILESCOCCN1Cc2cc3c(C#N)c(C)n(C)c3cc2C1
InChIInChI=1S/C16H19N3O/c1-11-15(8-17)14-6-12-9-19(4-5-20-3)10-13(12)7-16(14)18(11)2/h6-7H,4-5,9-10H2,1-3H3
InChIKeyVKSMDKRTTHAUFQ-UHFFFAOYSA-N
MW269.35 g/mol
LogP2.32
Rot. Bonds3

About 6-(2-methoxyethyl)-1,2-dimethyl-5,7-dihydropyrrolo[3,4-f]indole-3-carbonitrile

6-(2-methoxyethyl)-1,2-dimethyl-5,7-dihydropyrrolo[3,4-f]indole-3-carbonitrile (PubChem CID 112540975) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is 6-(2-methoxyethyl)-1,2-dimethyl-5,7-dihydropyrrolo[3,4-f]indole-3-carbonitrile.

Molecular Properties

Compound Name6-(2-methoxyethyl)-1,2-dimethyl-5,7-dihydropyrrolo[3,4-f]indole-3-carbonitrile
PubChem CID112540975
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name6-(2-methoxyethyl)-1,2-dimethyl-5,7-dihydropyrrolo[3,4-f]indole-3-carbonitrile
SMILESCOCCN1Cc2cc3c(C#N)c(C)n(C)c3cc2C1
InChIInChI=1S/C16H19N3O/c1-11-15(8-17)14-6-12-9-19(4-5-20-3)10-13(12)7-16(14)18(11)2/h6-7H,4-5,9-10H2,1-3H3
InChIKeyVKSMDKRTTHAUFQ-UHFFFAOYSA-N
XLogP2.32
TPSA41.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(2-methoxyethyl)-1,2-dimethyl-5,7-dihydropyrrolo[3,4-f]indole-3-carbonitrile?
The IUPAC name of 6-(2-methoxyethyl)-1,2-dimethyl-5,7-dihydropyrrolo[3,4-f]indole-3-carbonitrile (CID 112540975) is 6-(2-methoxyethyl)-1,2-dimethyl-5,7-dihydropyrrolo[3,4-f]indole-3-carbonitrile.
What is the SMILES notation for 6-(2-methoxyethyl)-1,2-dimethyl-5,7-dihydropyrrolo[3,4-f]indole-3-carbonitrile?
The canonical SMILES for 6-(2-methoxyethyl)-1,2-dimethyl-5,7-dihydropyrrolo[3,4-f]indole-3-carbonitrile is COCCN1Cc2cc3c(C#N)c(C)n(C)c3cc2C1.
What is the InChIKey of 6-(2-methoxyethyl)-1,2-dimethyl-5,7-dihydropyrrolo[3,4-f]indole-3-carbonitrile?
The InChIKey is VKSMDKRTTHAUFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-11-15(8-17)14-6-12-9-19(4-5-20-3)10-13(12)7-16(14)18(11)2/h6-7H,4-5,9-10H2,1-3H3.
What are the key properties of 6-(2-methoxyethyl)-1,2-dimethyl-5,7-dihydropyrrolo[3,4-f]indole-3-carbonitrile?
6-(2-methoxyethyl)-1,2-dimethyl-5,7-dihydropyrrolo[3,4-f]indole-3-carbonitrile has a molecular weight of 269.35 g/mol, XLogP of 2.32, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methoxyethyl)-1,2-dimethyl-5,7-dihydropyrrolo[3,4-f]indole-3-carbonitrile is sourced from PubChem (CID 112540975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).