2-propan-2-yl-3a,7a-dihydro-3H-pyrrolo[2,3-b]pyridine

C10H14N2 — CID 123949696

IUPAC2-propan-2-yl-3a,7a-dihydro-3H-pyrrolo[2,3-b]pyridine
SMILESCC(C)C1=NC2N=CC=CC2C1
InChIInChI=1S/C10H14N2/c1-7(2)9-6-8-4-3-5-11-10(8)12-9/h3-5,7-8,10H,6H2,1-2H3
InChIKeyFCLMFQNYZAMUDN-UHFFFAOYSA-N
MW162.24 g/mol
LogP2.07
Rot. Bonds1

About 2-propan-2-yl-3a,7a-dihydro-3H-pyrrolo[2,3-b]pyridine

2-propan-2-yl-3a,7a-dihydro-3H-pyrrolo[2,3-b]pyridine (PubChem CID 123949696) has the molecular formula C10H14N2 and a molecular weight of 162.24 g/mol. Its IUPAC name is 2-propan-2-yl-3a,7a-dihydro-3H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name2-propan-2-yl-3a,7a-dihydro-3H-pyrrolo[2,3-b]pyridine
PubChem CID123949696
Molecular FormulaC10H14N2
Molecular Weight162.24 g/mol
Exact Mass162.12
IUPAC Name2-propan-2-yl-3a,7a-dihydro-3H-pyrrolo[2,3-b]pyridine
SMILESCC(C)C1=NC2N=CC=CC2C1
InChIInChI=1S/C10H14N2/c1-7(2)9-6-8-4-3-5-11-10(8)12-9/h3-5,7-8,10H,6H2,1-2H3
InChIKeyFCLMFQNYZAMUDN-UHFFFAOYSA-N
XLogP2.07
TPSA24.72 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 ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-3a,7a-dihydro-3H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 2-propan-2-yl-3a,7a-dihydro-3H-pyrrolo[2,3-b]pyridine (CID 123949696) is 2-propan-2-yl-3a,7a-dihydro-3H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 2-propan-2-yl-3a,7a-dihydro-3H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 2-propan-2-yl-3a,7a-dihydro-3H-pyrrolo[2,3-b]pyridine is CC(C)C1=NC2N=CC=CC2C1.
What is the InChIKey of 2-propan-2-yl-3a,7a-dihydro-3H-pyrrolo[2,3-b]pyridine?
The InChIKey is FCLMFQNYZAMUDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2/c1-7(2)9-6-8-4-3-5-11-10(8)12-9/h3-5,7-8,10H,6H2,1-2H3.
What are the key properties of 2-propan-2-yl-3a,7a-dihydro-3H-pyrrolo[2,3-b]pyridine?
2-propan-2-yl-3a,7a-dihydro-3H-pyrrolo[2,3-b]pyridine has a molecular weight of 162.24 g/mol, XLogP of 2.07, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-3a,7a-dihydro-3H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 123949696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).