5-propan-2-yl-4,6,7,7a-tetrahydropyrrolo[3,4-c]pyridine

C10H16N2 — CID 163990759

IUPAC5-propan-2-yl-4,6,7,7a-tetrahydropyrrolo[3,4-c]pyridine
SMILESCC(C)N1CCC2C=NC=C2C1
InChIInChI=1S/C10H16N2/c1-8(2)12-4-3-9-5-11-6-10(9)7-12/h5-6,8-9H,3-4,7H2,1-2H3
InChIKeyIOGVOYAVKVWURW-UHFFFAOYSA-N
MW164.25 g/mol
LogP1.68
Rot. Bonds1

About 5-propan-2-yl-4,6,7,7a-tetrahydropyrrolo[3,4-c]pyridine

5-propan-2-yl-4,6,7,7a-tetrahydropyrrolo[3,4-c]pyridine (PubChem CID 163990759) has the molecular formula C10H16N2 and a molecular weight of 164.25 g/mol. Its IUPAC name is 5-propan-2-yl-4,6,7,7a-tetrahydropyrrolo[3,4-c]pyridine.

Molecular Properties

Compound Name5-propan-2-yl-4,6,7,7a-tetrahydropyrrolo[3,4-c]pyridine
PubChem CID163990759
Molecular FormulaC10H16N2
Molecular Weight164.25 g/mol
Exact Mass164.13
IUPAC Name5-propan-2-yl-4,6,7,7a-tetrahydropyrrolo[3,4-c]pyridine
SMILESCC(C)N1CCC2C=NC=C2C1
InChIInChI=1S/C10H16N2/c1-8(2)12-4-3-9-5-11-6-10(9)7-12/h5-6,8-9H,3-4,7H2,1-2H3
InChIKeyIOGVOYAVKVWURW-UHFFFAOYSA-N
XLogP1.68
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-propan-2-yl-4,6,7,7a-tetrahydropyrrolo[3,4-c]pyridine?
The IUPAC name of 5-propan-2-yl-4,6,7,7a-tetrahydropyrrolo[3,4-c]pyridine (CID 163990759) is 5-propan-2-yl-4,6,7,7a-tetrahydropyrrolo[3,4-c]pyridine.
What is the SMILES notation for 5-propan-2-yl-4,6,7,7a-tetrahydropyrrolo[3,4-c]pyridine?
The canonical SMILES for 5-propan-2-yl-4,6,7,7a-tetrahydropyrrolo[3,4-c]pyridine is CC(C)N1CCC2C=NC=C2C1.
What is the InChIKey of 5-propan-2-yl-4,6,7,7a-tetrahydropyrrolo[3,4-c]pyridine?
The InChIKey is IOGVOYAVKVWURW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2/c1-8(2)12-4-3-9-5-11-6-10(9)7-12/h5-6,8-9H,3-4,7H2,1-2H3.
What are the key properties of 5-propan-2-yl-4,6,7,7a-tetrahydropyrrolo[3,4-c]pyridine?
5-propan-2-yl-4,6,7,7a-tetrahydropyrrolo[3,4-c]pyridine has a molecular weight of 164.25 g/mol, XLogP of 1.68, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yl-4,6,7,7a-tetrahydropyrrolo[3,4-c]pyridine is sourced from PubChem (CID 163990759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).