3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridine;ethane

C9H14N2 — CID 154693408

IUPAC3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridine;ethane
SMILESC1=CC2NC=CC2N=C1.CC
InChIInChI=1S/C7H8N2.C2H6/c1-2-6-7(8-4-1)3-5-9-6;1-2/h1-7,9H;1-2H3
InChIKeyXOEAAYGYLWCMRF-UHFFFAOYSA-N
MW150.22 g/mol
LogP1.51
Rot. Bonds

About 3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridine;ethane

3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridine;ethane (PubChem CID 154693408) has the molecular formula C9H14N2 and a molecular weight of 150.22 g/mol. Its IUPAC name is 3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridine;ethane.

Molecular Properties

Compound Name3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridine;ethane
PubChem CID154693408
Molecular FormulaC9H14N2
Molecular Weight150.22 g/mol
Exact Mass150.12
IUPAC Name3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridine;ethane
SMILESC1=CC2NC=CC2N=C1.CC
InChIInChI=1S/C7H8N2.C2H6/c1-2-6-7(8-4-1)3-5-9-6;1-2/h1-7,9H;1-2H3
InChIKeyXOEAAYGYLWCMRF-UHFFFAOYSA-N
XLogP1.51
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 ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethyl-6-fluoro-3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridine
CID 117611844
6-fluoro-2-propan-2-yl-3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridine
CID 118489342
5-fluoro-2-propan-2-yl-3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridine
CID 118489346
6-fluoro-2-methyl-3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridine
CID 118491774
5-fluoro-2-methyl-3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridine
CID 118491786
3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridine
CID 17859413
7,7a-dihydro-1H-pyrrolo[2,3-c]pyridine
CID 17859506
2-methyl-3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridine
CID 23545925
N-ethyl-3-(methylideneamino)-3,4-dihydropyridin-4-amine
CID 68074365
N-methyl-2,3-dihydropyridin-3-amine
CID 70630719
5-(2,5-dihydro-1H-pyrrol-2-yl)-1,2-dihydropyrazine
CID 90733052
1-Methyl-3a,7a-dihydropyrrolo[3,2-b]pyridine
CID 91406679

Frequently Asked Questions

What is the IUPAC name of 3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridine;ethane?
The IUPAC name of 3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridine;ethane (CID 154693408) is 3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridine;ethane.
What is the SMILES notation for 3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridine;ethane?
The canonical SMILES for 3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridine;ethane is C1=CC2NC=CC2N=C1.CC.
What is the InChIKey of 3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridine;ethane?
The InChIKey is XOEAAYGYLWCMRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2.C2H6/c1-2-6-7(8-4-1)3-5-9-6;1-2/h1-7,9H;1-2H3.
What are the key properties of 3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridine;ethane?
3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridine;ethane has a molecular weight of 150.22 g/mol, XLogP of 1.51, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridine;ethane is sourced from PubChem (CID 154693408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).