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

C11H18N2 — CID 131997933

IUPAC2-methyl-6-propan-2-yl-3,4,5,7-tetrahydropyrrolo[2,3-c]pyridine
SMILESCC1=NC2=C(CCN(C(C)C)C2)C1
InChIInChI=1S/C11H18N2/c1-8(2)13-5-4-10-6-9(3)12-11(10)7-13/h8H,4-7H2,1-3H3
InChIKeyLMTUMGDZJOMGST-UHFFFAOYSA-N
MW178.28 g/mol
LogP2.22
Rot. Bonds1

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

2-methyl-6-propan-2-yl-3,4,5,7-tetrahydropyrrolo[2,3-c]pyridine (PubChem CID 131997933) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is 2-methyl-6-propan-2-yl-3,4,5,7-tetrahydropyrrolo[2,3-c]pyridine.

Molecular Properties

Compound Name2-methyl-6-propan-2-yl-3,4,5,7-tetrahydropyrrolo[2,3-c]pyridine
PubChem CID131997933
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC Name2-methyl-6-propan-2-yl-3,4,5,7-tetrahydropyrrolo[2,3-c]pyridine
SMILESCC1=NC2=C(CCN(C(C)C)C2)C1
InChIInChI=1S/C11H18N2/c1-8(2)13-5-4-10-6-9(3)12-11(10)7-13/h8H,4-7H2,1-3H3
InChIKeyLMTUMGDZJOMGST-UHFFFAOYSA-N
XLogP2.22
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 ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-propan-2-yl-3,4,5,7-tetrahydropyrrolo[2,3-c]pyridine?
The IUPAC name of 2-methyl-6-propan-2-yl-3,4,5,7-tetrahydropyrrolo[2,3-c]pyridine (CID 131997933) is 2-methyl-6-propan-2-yl-3,4,5,7-tetrahydropyrrolo[2,3-c]pyridine.
What is the SMILES notation for 2-methyl-6-propan-2-yl-3,4,5,7-tetrahydropyrrolo[2,3-c]pyridine?
The canonical SMILES for 2-methyl-6-propan-2-yl-3,4,5,7-tetrahydropyrrolo[2,3-c]pyridine is CC1=NC2=C(CCN(C(C)C)C2)C1.
What is the InChIKey of 2-methyl-6-propan-2-yl-3,4,5,7-tetrahydropyrrolo[2,3-c]pyridine?
The InChIKey is LMTUMGDZJOMGST-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2/c1-8(2)13-5-4-10-6-9(3)12-11(10)7-13/h8H,4-7H2,1-3H3.
What are the key properties of 2-methyl-6-propan-2-yl-3,4,5,7-tetrahydropyrrolo[2,3-c]pyridine?
2-methyl-6-propan-2-yl-3,4,5,7-tetrahydropyrrolo[2,3-c]pyridine has a molecular weight of 178.28 g/mol, XLogP of 2.22, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-propan-2-yl-3,4,5,7-tetrahydropyrrolo[2,3-c]pyridine is sourced from PubChem (CID 131997933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).