2,5-dimethyl-3a,6,7,7a-tetrahydro-1H-pyrrolo[3,2-b]pyridine

C9H14N2 — CID 144718373

IUPAC2,5-dimethyl-3a,6,7,7a-tetrahydro-1H-pyrrolo[3,2-b]pyridine
SMILESCC1=CC2N=C(C)CCC2N1
InChIInChI=1S/C9H14N2/c1-6-3-4-8-9(10-6)5-7(2)11-8/h5,8-9,11H,3-4H2,1-2H3
InChIKeyYOGKEIHQOJTLGI-UHFFFAOYSA-N
MW150.22 g/mol
LogP1.49
Rot. Bonds

About 2,5-dimethyl-3a,6,7,7a-tetrahydro-1H-pyrrolo[3,2-b]pyridine

2,5-dimethyl-3a,6,7,7a-tetrahydro-1H-pyrrolo[3,2-b]pyridine (PubChem CID 144718373) has the molecular formula C9H14N2 and a molecular weight of 150.22 g/mol. Its IUPAC name is 2,5-dimethyl-3a,6,7,7a-tetrahydro-1H-pyrrolo[3,2-b]pyridine.

Molecular Properties

Compound Name2,5-dimethyl-3a,6,7,7a-tetrahydro-1H-pyrrolo[3,2-b]pyridine
PubChem CID144718373
Molecular FormulaC9H14N2
Molecular Weight150.22 g/mol
Exact Mass150.12
IUPAC Name2,5-dimethyl-3a,6,7,7a-tetrahydro-1H-pyrrolo[3,2-b]pyridine
SMILESCC1=CC2N=C(C)CCC2N1
InChIInChI=1S/C9H14N2/c1-6-3-4-8-9(10-6)5-7(2)11-8/h5,8-9,11H,3-4H2,1-2H3
InChIKeyYOGKEIHQOJTLGI-UHFFFAOYSA-N
XLogP1.49
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 71437658
N-(3H-pyrrol-5-ylmethyl)decan-1-amine
CID 58291783
2,5-dimethyl-3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridine
CID 118491776
2-ethyl-5-methyl-3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridine
CID 118493380
N-[(E)-4-piperidin-2-ylbut-2-en-2-yl]propan-2-imine
CID 123211008
6-(5-Aminopiperidin-2-yl)-2,5-dihydropyridin-3-amine
CID 124198695
2-methyl-2,3,5,6-tetrahydro-1H-pyrrolo[3,2-b]pyridine
CID 134375896
1-(6-methyl-3,4-dihydropyridin-2-yl)-N-[(2-methyl-1,2-dihydropyridin-6-yl)methyl]methanamine
CID 141898060
2-(1,2,3,4-Tetrahydropyridin-6-yl)-2,3,4,5-tetrahydropyridine
CID 144329213
2,5-dimethyl-3a,6,7,7a-tetrahydro-1H-pyrrolo[3,2-b]pyridine;N-[(Z)-prop-1-enyl]ethanimine
CID 144718372
5-ethyl-3H-pyrrole;methane;molecular hydrogen;1-piperidin-2-ylethenamine
CID 144920999

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-3a,6,7,7a-tetrahydro-1H-pyrrolo[3,2-b]pyridine?
The IUPAC name of 2,5-dimethyl-3a,6,7,7a-tetrahydro-1H-pyrrolo[3,2-b]pyridine (CID 144718373) is 2,5-dimethyl-3a,6,7,7a-tetrahydro-1H-pyrrolo[3,2-b]pyridine.
What is the SMILES notation for 2,5-dimethyl-3a,6,7,7a-tetrahydro-1H-pyrrolo[3,2-b]pyridine?
The canonical SMILES for 2,5-dimethyl-3a,6,7,7a-tetrahydro-1H-pyrrolo[3,2-b]pyridine is CC1=CC2N=C(C)CCC2N1.
What is the InChIKey of 2,5-dimethyl-3a,6,7,7a-tetrahydro-1H-pyrrolo[3,2-b]pyridine?
The InChIKey is YOGKEIHQOJTLGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2/c1-6-3-4-8-9(10-6)5-7(2)11-8/h5,8-9,11H,3-4H2,1-2H3.
What are the key properties of 2,5-dimethyl-3a,6,7,7a-tetrahydro-1H-pyrrolo[3,2-b]pyridine?
2,5-dimethyl-3a,6,7,7a-tetrahydro-1H-pyrrolo[3,2-b]pyridine has a molecular weight of 150.22 g/mol, XLogP of 1.49, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-3a,6,7,7a-tetrahydro-1H-pyrrolo[3,2-b]pyridine is sourced from PubChem (CID 144718373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).