5,5-dimethyl-3-propan-2-yl-1,3a,4,7a-tetrahydropyrrolo[2,3-b]pyridine

C12H20N2 — CID 126686899

IUPAC5,5-dimethyl-3-propan-2-yl-1,3a,4,7a-tetrahydropyrrolo[2,3-b]pyridine
SMILESCC(C)C1=CNC2N=CC(C)(C)CC12
InChIInChI=1S/C12H20N2/c1-8(2)10-6-13-11-9(10)5-12(3,4)7-14-11/h6-9,11,13H,5H2,1-4H3
InChIKeyAMWKVLZHYSTDTC-UHFFFAOYSA-N
MW192.31 g/mol
LogP2.57
Rot. Bonds1

About 5,5-dimethyl-3-propan-2-yl-1,3a,4,7a-tetrahydropyrrolo[2,3-b]pyridine

5,5-dimethyl-3-propan-2-yl-1,3a,4,7a-tetrahydropyrrolo[2,3-b]pyridine (PubChem CID 126686899) has the molecular formula C12H20N2 and a molecular weight of 192.31 g/mol. Its IUPAC name is 5,5-dimethyl-3-propan-2-yl-1,3a,4,7a-tetrahydropyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name5,5-dimethyl-3-propan-2-yl-1,3a,4,7a-tetrahydropyrrolo[2,3-b]pyridine
PubChem CID126686899
Molecular FormulaC12H20N2
Molecular Weight192.31 g/mol
Exact Mass192.16
IUPAC Name5,5-dimethyl-3-propan-2-yl-1,3a,4,7a-tetrahydropyrrolo[2,3-b]pyridine
SMILESCC(C)C1=CNC2N=CC(C)(C)CC12
InChIInChI=1S/C12H20N2/c1-8(2)10-6-13-11-9(10)5-12(3,4)7-14-11/h6-9,11,13H,5H2,1-4H3
InChIKeyAMWKVLZHYSTDTC-UHFFFAOYSA-N
XLogP2.57
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.31
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-3-propan-2-yl-1,3a,4,7a-tetrahydropyrrolo[2,3-b]pyridine?
The IUPAC name of 5,5-dimethyl-3-propan-2-yl-1,3a,4,7a-tetrahydropyrrolo[2,3-b]pyridine (CID 126686899) is 5,5-dimethyl-3-propan-2-yl-1,3a,4,7a-tetrahydropyrrolo[2,3-b]pyridine.
What is the SMILES notation for 5,5-dimethyl-3-propan-2-yl-1,3a,4,7a-tetrahydropyrrolo[2,3-b]pyridine?
The canonical SMILES for 5,5-dimethyl-3-propan-2-yl-1,3a,4,7a-tetrahydropyrrolo[2,3-b]pyridine is CC(C)C1=CNC2N=CC(C)(C)CC12.
What is the InChIKey of 5,5-dimethyl-3-propan-2-yl-1,3a,4,7a-tetrahydropyrrolo[2,3-b]pyridine?
The InChIKey is AMWKVLZHYSTDTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2/c1-8(2)10-6-13-11-9(10)5-12(3,4)7-14-11/h6-9,11,13H,5H2,1-4H3.
What are the key properties of 5,5-dimethyl-3-propan-2-yl-1,3a,4,7a-tetrahydropyrrolo[2,3-b]pyridine?
5,5-dimethyl-3-propan-2-yl-1,3a,4,7a-tetrahydropyrrolo[2,3-b]pyridine has a molecular weight of 192.31 g/mol, XLogP of 2.57, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-3-propan-2-yl-1,3a,4,7a-tetrahydropyrrolo[2,3-b]pyridine is sourced from PubChem (CID 126686899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).