3,4-dimethyl-4,7-dihydro-3aH-pyrrolo[2,3-b]pyridine

C9H12N2 — CID 155432648

IUPAC3,4-dimethyl-4,7-dihydro-3aH-pyrrolo[2,3-b]pyridine
SMILESCC1=CN=C2NC=CC(C)C12
InChIInChI=1S/C9H12N2/c1-6-3-4-10-9-8(6)7(2)5-11-9/h3-6,8H,1-2H3,(H,10,11)
InChIKeyXMDAQQIJAJIPOO-UHFFFAOYSA-N
MW148.21 g/mol
LogP1.67
Rot. Bonds

About 3,4-dimethyl-4,7-dihydro-3aH-pyrrolo[2,3-b]pyridine

3,4-dimethyl-4,7-dihydro-3aH-pyrrolo[2,3-b]pyridine (PubChem CID 155432648) has the molecular formula C9H12N2 and a molecular weight of 148.21 g/mol. Its IUPAC name is 3,4-dimethyl-4,7-dihydro-3aH-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name3,4-dimethyl-4,7-dihydro-3aH-pyrrolo[2,3-b]pyridine
PubChem CID155432648
Molecular FormulaC9H12N2
Molecular Weight148.21 g/mol
Exact Mass148.10
IUPAC Name3,4-dimethyl-4,7-dihydro-3aH-pyrrolo[2,3-b]pyridine
SMILESCC1=CN=C2NC=CC(C)C12
InChIInChI=1S/C9H12N2/c1-6-3-4-10-9-8(6)7(2)5-11-9/h3-6,8H,1-2H3,(H,10,11)
InChIKeyXMDAQQIJAJIPOO-UHFFFAOYSA-N
XLogP1.67
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.21
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-4,7-dihydro-3aH-pyrrolo[2,3-b]pyridine?
The IUPAC name of 3,4-dimethyl-4,7-dihydro-3aH-pyrrolo[2,3-b]pyridine (CID 155432648) is 3,4-dimethyl-4,7-dihydro-3aH-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 3,4-dimethyl-4,7-dihydro-3aH-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 3,4-dimethyl-4,7-dihydro-3aH-pyrrolo[2,3-b]pyridine is CC1=CN=C2NC=CC(C)C12.
What is the InChIKey of 3,4-dimethyl-4,7-dihydro-3aH-pyrrolo[2,3-b]pyridine?
The InChIKey is XMDAQQIJAJIPOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2/c1-6-3-4-10-9-8(6)7(2)5-11-9/h3-6,8H,1-2H3,(H,10,11).
What are the key properties of 3,4-dimethyl-4,7-dihydro-3aH-pyrrolo[2,3-b]pyridine?
3,4-dimethyl-4,7-dihydro-3aH-pyrrolo[2,3-b]pyridine has a molecular weight of 148.21 g/mol, XLogP of 1.67, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-4,7-dihydro-3aH-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 155432648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).