1-methyl-5-propan-2-yl-3a,7a-dihydropyrrolo[3,2-b]pyridine

C11H16N2 — CID 20657803

IUPAC1-methyl-5-propan-2-yl-3a,7a-dihydropyrrolo[3,2-b]pyridine
SMILESCC(C)C1=NC2C=CN(C)C2C=C1
InChIInChI=1S/C11H16N2/c1-8(2)9-4-5-11-10(12-9)6-7-13(11)3/h4-8,10-11H,1-3H3
InChIKeyJGXZMXXYHZGOMH-UHFFFAOYSA-N
MW176.26 g/mol
LogP1.85
Rot. Bonds1

About 1-methyl-5-propan-2-yl-3a,7a-dihydropyrrolo[3,2-b]pyridine

1-methyl-5-propan-2-yl-3a,7a-dihydropyrrolo[3,2-b]pyridine (PubChem CID 20657803) has the molecular formula C11H16N2 and a molecular weight of 176.26 g/mol. Its IUPAC name is 1-methyl-5-propan-2-yl-3a,7a-dihydropyrrolo[3,2-b]pyridine.

Molecular Properties

Compound Name1-methyl-5-propan-2-yl-3a,7a-dihydropyrrolo[3,2-b]pyridine
PubChem CID20657803
Molecular FormulaC11H16N2
Molecular Weight176.26 g/mol
Exact Mass176.13
IUPAC Name1-methyl-5-propan-2-yl-3a,7a-dihydropyrrolo[3,2-b]pyridine
SMILESCC(C)C1=NC2C=CN(C)C2C=C1
InChIInChI=1S/C11H16N2/c1-8(2)9-4-5-11-10(12-9)6-7-13(11)3/h4-8,10-11H,1-3H3
InChIKeyJGXZMXXYHZGOMH-UHFFFAOYSA-N
XLogP1.85
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-methyl-5,6-dihydro-1H-indolizin-4-ium
CID 18684141
(5S)-5-methyl-5,6-dihydro-1H-indolizin-4-ium
CID 58995854
1-Methyl-3a,7a-dihydropyrrolo[3,2-b]pyridine
CID 91406679
1-Methyl-2-propan-2-yl-3a,7a-dihydropyrrolo[3,2-b]pyridine
CID 118489355
1,2-Di(propan-2-yl)-3a,7a-dihydropyrrolo[3,2-b]pyridine
CID 155635627
6-propan-2-yl-8aH-pyrrolo[1,2-a]pyrazin-5-ium
CID 156663117
1,5-Dimethyl-3a,7a-dihydropyrrolo[3,2-b]pyridine
CID 165379437
5-propan-2-yl-3aH-pyrrolo[3,2-b]pyridine
CID 177123201

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-propan-2-yl-3a,7a-dihydropyrrolo[3,2-b]pyridine?
The IUPAC name of 1-methyl-5-propan-2-yl-3a,7a-dihydropyrrolo[3,2-b]pyridine (CID 20657803) is 1-methyl-5-propan-2-yl-3a,7a-dihydropyrrolo[3,2-b]pyridine.
What is the SMILES notation for 1-methyl-5-propan-2-yl-3a,7a-dihydropyrrolo[3,2-b]pyridine?
The canonical SMILES for 1-methyl-5-propan-2-yl-3a,7a-dihydropyrrolo[3,2-b]pyridine is CC(C)C1=NC2C=CN(C)C2C=C1.
What is the InChIKey of 1-methyl-5-propan-2-yl-3a,7a-dihydropyrrolo[3,2-b]pyridine?
The InChIKey is JGXZMXXYHZGOMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2/c1-8(2)9-4-5-11-10(12-9)6-7-13(11)3/h4-8,10-11H,1-3H3.
What are the key properties of 1-methyl-5-propan-2-yl-3a,7a-dihydropyrrolo[3,2-b]pyridine?
1-methyl-5-propan-2-yl-3a,7a-dihydropyrrolo[3,2-b]pyridine has a molecular weight of 176.26 g/mol, XLogP of 1.85, 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-3a,7a-dihydropyrrolo[3,2-b]pyridine is sourced from PubChem (CID 20657803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).