5-methyl-3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridine

C8H10N2 — CID 142023544

IUPAC5-methyl-3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridine
SMILESCC1=NC2C=CNC2C=C1
InChIInChI=1S/C8H10N2/c1-6-2-3-7-8(10-6)4-5-9-7/h2-5,7-9H,1H3
InChIKeyDJSUCPLXDWLWOB-UHFFFAOYSA-N
MW134.18 g/mol
LogP0.87
Rot. Bonds

About 5-methyl-3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridine

5-methyl-3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridine (PubChem CID 142023544) has the molecular formula C8H10N2 and a molecular weight of 134.18 g/mol. Its IUPAC name is 5-methyl-3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridine.

Molecular Properties

Compound Name5-methyl-3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridine
PubChem CID142023544
Molecular FormulaC8H10N2
Molecular Weight134.18 g/mol
Exact Mass134.08
IUPAC Name5-methyl-3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridine
SMILESCC1=NC2C=CNC2C=C1
InChIInChI=1S/C8H10N2/c1-6-2-3-7-8(10-6)4-5-9-7/h2-5,7-9H,1H3
InChIKeyDJSUCPLXDWLWOB-UHFFFAOYSA-N
XLogP0.87
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.18
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-methyl-3a,7a-dihydro-1H-indole
CID 59013901
ethane;2,3,6-trimethyl-2,3-dihydropyridine
CID 144863717
1,5-dimethyl-3a,7a-dihydropyrrolo[3,2-b]pyridine
CID 165379437
6-bromo-3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridine
CID 163455865
(7aR)-2-methyl-3a,7a-dihydro-1H-benzimidazole
CID 89016466
5-fluoro-2-methyl-3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridine
CID 118491786
2-ethyl-5-methyl-3a,7a-dihydro-3H-pyrrolo[3,2-b]pyridine
CID 123268597
5-methoxy-2-propan-2-yl-3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridine
CID 118489352
6-methyl-2-(2-methylpropylamino)-2,3-dihydropyridine-3-carbonitrile
CID 143901968
5-propan-2-yl-3a,7a-dihydro-1H-pyrrolo[2,3-c]pyridine
CID 155249859
4-(aminomethyl)-3-methyl-1,2-dihydropyridin-2-ol
CID 141021566
2,5,7-trimethyl-2H-azepine
CID 142470098

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridine?
The IUPAC name of 5-methyl-3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridine (CID 142023544) is 5-methyl-3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridine.
What is the SMILES notation for 5-methyl-3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridine?
The canonical SMILES for 5-methyl-3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridine is CC1=NC2C=CNC2C=C1.
What is the InChIKey of 5-methyl-3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridine?
The InChIKey is DJSUCPLXDWLWOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2/c1-6-2-3-7-8(10-6)4-5-9-7/h2-5,7-9H,1H3.
What are the key properties of 5-methyl-3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridine?
5-methyl-3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridine has a molecular weight of 134.18 g/mol, XLogP of 0.87, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridine is sourced from PubChem (CID 142023544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).