2-propan-2-yl-1,3-dihydropyrrolo[3,4-c]pyridine-6-carbonitrile

C11H13N3 — CID 155230421

IUPAC2-propan-2-yl-1,3-dihydropyrrolo[3,4-c]pyridine-6-carbonitrile
SMILESCC(C)N1Cc2cnc(C#N)cc2C1
InChIInChI=1S/C11H13N3/c1-8(2)14-6-9-3-11(4-12)13-5-10(9)7-14/h3,5,8H,6-7H2,1-2H3
InChIKeySMITVZMLAGOAID-UHFFFAOYSA-N
MW187.25 g/mol
LogP1.68
Rot. Bonds1

About 2-propan-2-yl-1,3-dihydropyrrolo[3,4-c]pyridine-6-carbonitrile

2-propan-2-yl-1,3-dihydropyrrolo[3,4-c]pyridine-6-carbonitrile (PubChem CID 155230421) has the molecular formula C11H13N3 and a molecular weight of 187.25 g/mol. Its IUPAC name is 2-propan-2-yl-1,3-dihydropyrrolo[3,4-c]pyridine-6-carbonitrile.

Molecular Properties

Compound Name2-propan-2-yl-1,3-dihydropyrrolo[3,4-c]pyridine-6-carbonitrile
PubChem CID155230421
Molecular FormulaC11H13N3
Molecular Weight187.25 g/mol
Exact Mass187.11
IUPAC Name2-propan-2-yl-1,3-dihydropyrrolo[3,4-c]pyridine-6-carbonitrile
SMILESCC(C)N1Cc2cnc(C#N)cc2C1
InChIInChI=1S/C11H13N3/c1-8(2)14-6-9-3-11(4-12)13-5-10(9)7-14/h3,5,8H,6-7H2,1-2H3
InChIKeySMITVZMLAGOAID-UHFFFAOYSA-N
XLogP1.68
TPSA39.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.25
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-1,3-dihydropyrrolo[3,4-c]pyridine-6-carbonitrile?
The IUPAC name of 2-propan-2-yl-1,3-dihydropyrrolo[3,4-c]pyridine-6-carbonitrile (CID 155230421) is 2-propan-2-yl-1,3-dihydropyrrolo[3,4-c]pyridine-6-carbonitrile.
What is the SMILES notation for 2-propan-2-yl-1,3-dihydropyrrolo[3,4-c]pyridine-6-carbonitrile?
The canonical SMILES for 2-propan-2-yl-1,3-dihydropyrrolo[3,4-c]pyridine-6-carbonitrile is CC(C)N1Cc2cnc(C#N)cc2C1.
What is the InChIKey of 2-propan-2-yl-1,3-dihydropyrrolo[3,4-c]pyridine-6-carbonitrile?
The InChIKey is SMITVZMLAGOAID-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3/c1-8(2)14-6-9-3-11(4-12)13-5-10(9)7-14/h3,5,8H,6-7H2,1-2H3.
What are the key properties of 2-propan-2-yl-1,3-dihydropyrrolo[3,4-c]pyridine-6-carbonitrile?
2-propan-2-yl-1,3-dihydropyrrolo[3,4-c]pyridine-6-carbonitrile has a molecular weight of 187.25 g/mol, XLogP of 1.68, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-1,3-dihydropyrrolo[3,4-c]pyridine-6-carbonitrile is sourced from PubChem (CID 155230421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).