1-methyl-6-propan-2-yl-5,7-dihydropyrrolo[3,4-f]indole-3-carbonitrile

C15H17N3 — CID 112540821

IUPAC1-methyl-6-propan-2-yl-5,7-dihydropyrrolo[3,4-f]indole-3-carbonitrile
SMILESCC(C)N1Cc2cc3c(C#N)cn(C)c3cc2C1
InChIInChI=1S/C15H17N3/c1-10(2)18-8-11-4-14-13(6-16)7-17(3)15(14)5-12(11)9-18/h4-5,7,10H,8-9H2,1-3H3
InChIKeyFGKQKRIDWJGKBK-UHFFFAOYSA-N
MW239.32 g/mol
LogP2.77
Rot. Bonds1

About 1-methyl-6-propan-2-yl-5,7-dihydropyrrolo[3,4-f]indole-3-carbonitrile

1-methyl-6-propan-2-yl-5,7-dihydropyrrolo[3,4-f]indole-3-carbonitrile (PubChem CID 112540821) has the molecular formula C15H17N3 and a molecular weight of 239.32 g/mol. Its IUPAC name is 1-methyl-6-propan-2-yl-5,7-dihydropyrrolo[3,4-f]indole-3-carbonitrile.

Molecular Properties

Compound Name1-methyl-6-propan-2-yl-5,7-dihydropyrrolo[3,4-f]indole-3-carbonitrile
PubChem CID112540821
Molecular FormulaC15H17N3
Molecular Weight239.32 g/mol
Exact Mass239.14
IUPAC Name1-methyl-6-propan-2-yl-5,7-dihydropyrrolo[3,4-f]indole-3-carbonitrile
SMILESCC(C)N1Cc2cc3c(C#N)cn(C)c3cc2C1
InChIInChI=1S/C15H17N3/c1-10(2)18-8-11-4-14-13(6-16)7-17(3)15(14)5-12(11)9-18/h4-5,7,10H,8-9H2,1-3H3
InChIKeyFGKQKRIDWJGKBK-UHFFFAOYSA-N
XLogP2.77
TPSA31.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-6-propan-2-yl-5,7-dihydropyrrolo[3,4-f]indole-3-carbonitrile?
The IUPAC name of 1-methyl-6-propan-2-yl-5,7-dihydropyrrolo[3,4-f]indole-3-carbonitrile (CID 112540821) is 1-methyl-6-propan-2-yl-5,7-dihydropyrrolo[3,4-f]indole-3-carbonitrile.
What is the SMILES notation for 1-methyl-6-propan-2-yl-5,7-dihydropyrrolo[3,4-f]indole-3-carbonitrile?
The canonical SMILES for 1-methyl-6-propan-2-yl-5,7-dihydropyrrolo[3,4-f]indole-3-carbonitrile is CC(C)N1Cc2cc3c(C#N)cn(C)c3cc2C1.
What is the InChIKey of 1-methyl-6-propan-2-yl-5,7-dihydropyrrolo[3,4-f]indole-3-carbonitrile?
The InChIKey is FGKQKRIDWJGKBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3/c1-10(2)18-8-11-4-14-13(6-16)7-17(3)15(14)5-12(11)9-18/h4-5,7,10H,8-9H2,1-3H3.
What are the key properties of 1-methyl-6-propan-2-yl-5,7-dihydropyrrolo[3,4-f]indole-3-carbonitrile?
1-methyl-6-propan-2-yl-5,7-dihydropyrrolo[3,4-f]indole-3-carbonitrile has a molecular weight of 239.32 g/mol, XLogP of 2.77, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6-propan-2-yl-5,7-dihydropyrrolo[3,4-f]indole-3-carbonitrile is sourced from PubChem (CID 112540821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).