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

C8H10N2 — CID 91406679

IUPAC1-methyl-3a,7a-dihydropyrrolo[3,2-b]pyridine
SMILESCN1C=CC2N=CC=CC21
InChIInChI=1S/C8H10N2/c1-10-6-4-7-8(10)3-2-5-9-7/h2-8H,1H3
InChIKeyZLUXXJARDSEFEC-UHFFFAOYSA-N
MW134.18 g/mol
LogP0.82
Rot. Bonds

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

1-methyl-3a,7a-dihydropyrrolo[3,2-b]pyridine (PubChem CID 91406679) has the molecular formula C8H10N2 and a molecular weight of 134.18 g/mol. Its IUPAC name is 1-methyl-3a,7a-dihydropyrrolo[3,2-b]pyridine.

Molecular Properties

Compound Name1-methyl-3a,7a-dihydropyrrolo[3,2-b]pyridine
PubChem CID91406679
Molecular FormulaC8H10N2
Molecular Weight134.18 g/mol
Exact Mass134.08
IUPAC Name1-methyl-3a,7a-dihydropyrrolo[3,2-b]pyridine
SMILESCN1C=CC2N=CC=CC21
InChIInChI=1S/C8H10N2/c1-10-6-4-7-8(10)3-2-5-9-7/h2-8H,1H3
InChIKeyZLUXXJARDSEFEC-UHFFFAOYSA-N
XLogP0.82
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.18
LogP ≤ 50.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridine
CID 17859413
1-Methyl-5-propan-2-yl-3a,7a-dihydropyrrolo[3,2-b]pyridine
CID 20657803
1-Methyl-1,4,6,8a-tetrahydropyrrolo[1,2-a]pyrazine
CID 57323444
(2S)-N,N,2-trimethyl-2,3-dihydropyridin-3-amine
CID 67991661
2-Ethyl-1-methyl-3a,7a-dihydropyrrolo[3,2-b]pyridine
CID 117611845
1-Methyl-2-propan-2-yl-3a,7a-dihydropyrrolo[3,2-b]pyridine
CID 118489355
1,2-Dimethyl-3a,7a-dihydropyrrolo[3,2-b]pyridine
CID 118491724
3-(3,4-Dihydropyridin-1-ium-1-yl)-2,3-dihydropyridine
CID 123513583
2-Iodo-1-methyl-3a,7a-dihydropyrrolo[3,2-b]pyridine
CID 129099055
6-Bromo-1-methyl-3a,7a-dihydropyrrolo[3,2-b]pyridine
CID 135314476
1,4-Dimethyl-7,7a-dihydropyrrolo[3,2-b]pyridin-1-ium;ethane
CID 144465460
1,2-Dimethyl-3a,7a-dihydropyrrolo[3,2-b]pyridine;ethane
CID 144955040

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3a,7a-dihydropyrrolo[3,2-b]pyridine?
The IUPAC name of 1-methyl-3a,7a-dihydropyrrolo[3,2-b]pyridine (CID 91406679) is 1-methyl-3a,7a-dihydropyrrolo[3,2-b]pyridine.
What is the SMILES notation for 1-methyl-3a,7a-dihydropyrrolo[3,2-b]pyridine?
The canonical SMILES for 1-methyl-3a,7a-dihydropyrrolo[3,2-b]pyridine is CN1C=CC2N=CC=CC21.
What is the InChIKey of 1-methyl-3a,7a-dihydropyrrolo[3,2-b]pyridine?
The InChIKey is ZLUXXJARDSEFEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2/c1-10-6-4-7-8(10)3-2-5-9-7/h2-8H,1H3.
What are the key properties of 1-methyl-3a,7a-dihydropyrrolo[3,2-b]pyridine?
1-methyl-3a,7a-dihydropyrrolo[3,2-b]pyridine has a molecular weight of 134.18 g/mol, XLogP of 0.82, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3a,7a-dihydropyrrolo[3,2-b]pyridine is sourced from PubChem (CID 91406679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).