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

C11H18N2 — CID 131997926

IUPAC1-methyl-5-propan-2-yl-3,4,6,7-tetrahydropyrrolo[3,4-c]pyridine
SMILESCC1=NCC2=C1CCN(C(C)C)C2
InChIInChI=1S/C11H18N2/c1-8(2)13-5-4-11-9(3)12-6-10(11)7-13/h8H,4-7H2,1-3H3
InChIKeyNBKLTIJBSUKVNQ-UHFFFAOYSA-N
MW178.28 g/mol
LogP1.87
Rot. Bonds1

About 1-methyl-5-propan-2-yl-3,4,6,7-tetrahydropyrrolo[3,4-c]pyridine

1-methyl-5-propan-2-yl-3,4,6,7-tetrahydropyrrolo[3,4-c]pyridine (PubChem CID 131997926) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is 1-methyl-5-propan-2-yl-3,4,6,7-tetrahydropyrrolo[3,4-c]pyridine.

Molecular Properties

Compound Name1-methyl-5-propan-2-yl-3,4,6,7-tetrahydropyrrolo[3,4-c]pyridine
PubChem CID131997926
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC Name1-methyl-5-propan-2-yl-3,4,6,7-tetrahydropyrrolo[3,4-c]pyridine
SMILESCC1=NCC2=C1CCN(C(C)C)C2
InChIInChI=1S/C11H18N2/c1-8(2)13-5-4-11-9(3)12-6-10(11)7-13/h8H,4-7H2,1-3H3
InChIKeyNBKLTIJBSUKVNQ-UHFFFAOYSA-N
XLogP1.87
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-propan-2-yl-3,4,6,7-tetrahydropyrrolo[3,4-c]pyridine?
The IUPAC name of 1-methyl-5-propan-2-yl-3,4,6,7-tetrahydropyrrolo[3,4-c]pyridine (CID 131997926) is 1-methyl-5-propan-2-yl-3,4,6,7-tetrahydropyrrolo[3,4-c]pyridine.
What is the SMILES notation for 1-methyl-5-propan-2-yl-3,4,6,7-tetrahydropyrrolo[3,4-c]pyridine?
The canonical SMILES for 1-methyl-5-propan-2-yl-3,4,6,7-tetrahydropyrrolo[3,4-c]pyridine is CC1=NCC2=C1CCN(C(C)C)C2.
What is the InChIKey of 1-methyl-5-propan-2-yl-3,4,6,7-tetrahydropyrrolo[3,4-c]pyridine?
The InChIKey is NBKLTIJBSUKVNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2/c1-8(2)13-5-4-11-9(3)12-6-10(11)7-13/h8H,4-7H2,1-3H3.
What are the key properties of 1-methyl-5-propan-2-yl-3,4,6,7-tetrahydropyrrolo[3,4-c]pyridine?
1-methyl-5-propan-2-yl-3,4,6,7-tetrahydropyrrolo[3,4-c]pyridine has a molecular weight of 178.28 g/mol, XLogP of 1.87, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-propan-2-yl-3,4,6,7-tetrahydropyrrolo[3,4-c]pyridine is sourced from PubChem (CID 131997926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).