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

C10H14N2 — CID 135195565

IUPAC1-propan-2-yl-3a,7a-dihydropyrrolo[2,3-b]pyridine
SMILESCC(C)N1C=CC2C=CC=NC21
InChIInChI=1S/C10H14N2/c1-8(2)12-7-5-9-4-3-6-11-10(9)12/h3-10H,1-2H3
InChIKeyVNFWRSAXPVGMEA-UHFFFAOYSA-N
MW162.24 g/mol
LogP1.81
Rot. Bonds1

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

1-propan-2-yl-3a,7a-dihydropyrrolo[2,3-b]pyridine (PubChem CID 135195565) has the molecular formula C10H14N2 and a molecular weight of 162.24 g/mol. Its IUPAC name is 1-propan-2-yl-3a,7a-dihydropyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name1-propan-2-yl-3a,7a-dihydropyrrolo[2,3-b]pyridine
PubChem CID135195565
Molecular FormulaC10H14N2
Molecular Weight162.24 g/mol
Exact Mass162.12
IUPAC Name1-propan-2-yl-3a,7a-dihydropyrrolo[2,3-b]pyridine
SMILESCC(C)N1C=CC2C=CC=NC21
InChIInChI=1S/C10H14N2/c1-8(2)12-7-5-9-4-3-6-11-10(9)12/h3-10H,1-2H3
InChIKeyVNFWRSAXPVGMEA-UHFFFAOYSA-N
XLogP1.81
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.24
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-3a,7a-dihydropyrrolo[2,3-b]pyridine?
The IUPAC name of 1-propan-2-yl-3a,7a-dihydropyrrolo[2,3-b]pyridine (CID 135195565) is 1-propan-2-yl-3a,7a-dihydropyrrolo[2,3-b]pyridine.
What is the SMILES notation for 1-propan-2-yl-3a,7a-dihydropyrrolo[2,3-b]pyridine?
The canonical SMILES for 1-propan-2-yl-3a,7a-dihydropyrrolo[2,3-b]pyridine is CC(C)N1C=CC2C=CC=NC21.
What is the InChIKey of 1-propan-2-yl-3a,7a-dihydropyrrolo[2,3-b]pyridine?
The InChIKey is VNFWRSAXPVGMEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2/c1-8(2)12-7-5-9-4-3-6-11-10(9)12/h3-10H,1-2H3.
What are the key properties of 1-propan-2-yl-3a,7a-dihydropyrrolo[2,3-b]pyridine?
1-propan-2-yl-3a,7a-dihydropyrrolo[2,3-b]pyridine has a molecular weight of 162.24 g/mol, XLogP of 1.81, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-3a,7a-dihydropyrrolo[2,3-b]pyridine is sourced from PubChem (CID 135195565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).