1,4-dimethyl-6,7-dihydropyrrolo[3,2-c]pyridine

C9H12N2 — CID 86146738

IUPAC1,4-dimethyl-6,7-dihydropyrrolo[3,2-c]pyridine
SMILESCC1=NCCc2c1ccn2C
InChIInChI=1S/C9H12N2/c1-7-8-4-6-11(2)9(8)3-5-10-7/h4,6H,3,5H2,1-2H3
InChIKeyPGMYSTNQWWDEEM-UHFFFAOYSA-N
MW148.21 g/mol
LogP1.39
Rot. Bonds

About 1,4-dimethyl-6,7-dihydropyrrolo[3,2-c]pyridine

1,4-dimethyl-6,7-dihydropyrrolo[3,2-c]pyridine (PubChem CID 86146738) has the molecular formula C9H12N2 and a molecular weight of 148.21 g/mol. Its IUPAC name is 1,4-dimethyl-6,7-dihydropyrrolo[3,2-c]pyridine.

Molecular Properties

Compound Name1,4-dimethyl-6,7-dihydropyrrolo[3,2-c]pyridine
PubChem CID86146738
Molecular FormulaC9H12N2
Molecular Weight148.21 g/mol
Exact Mass148.10
IUPAC Name1,4-dimethyl-6,7-dihydropyrrolo[3,2-c]pyridine
SMILESCC1=NCCc2c1ccn2C
InChIInChI=1S/C9H12N2/c1-7-8-4-6-11(2)9(8)3-5-10-7/h4,6H,3,5H2,1-2H3
InChIKeyPGMYSTNQWWDEEM-UHFFFAOYSA-N
XLogP1.39
TPSA17.29 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.21
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,4-dimethyl-6,7-dihydropyrrolo[3,2-c]pyridine?
The IUPAC name of 1,4-dimethyl-6,7-dihydropyrrolo[3,2-c]pyridine (CID 86146738) is 1,4-dimethyl-6,7-dihydropyrrolo[3,2-c]pyridine.
What is the SMILES notation for 1,4-dimethyl-6,7-dihydropyrrolo[3,2-c]pyridine?
The canonical SMILES for 1,4-dimethyl-6,7-dihydropyrrolo[3,2-c]pyridine is CC1=NCCc2c1ccn2C.
What is the InChIKey of 1,4-dimethyl-6,7-dihydropyrrolo[3,2-c]pyridine?
The InChIKey is PGMYSTNQWWDEEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2/c1-7-8-4-6-11(2)9(8)3-5-10-7/h4,6H,3,5H2,1-2H3.
What are the key properties of 1,4-dimethyl-6,7-dihydropyrrolo[3,2-c]pyridine?
1,4-dimethyl-6,7-dihydropyrrolo[3,2-c]pyridine has a molecular weight of 148.21 g/mol, XLogP of 1.39, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethyl-6,7-dihydropyrrolo[3,2-c]pyridine is sourced from PubChem (CID 86146738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).