5-propan-2-yl-3aH-pyrrolo[3,2-b]pyridine

C10H12N2 — CID 177123201

IUPAC5-propan-2-yl-3aH-pyrrolo[3,2-b]pyridine
SMILESCC(C)C1=NC2C=CN=C2C=C1
InChIInChI=1S/C10H12N2/c1-7(2)8-3-4-9-10(12-8)5-6-11-9/h3-7,10H,1-2H3
InChIKeyZLTCEAWWWWEVHG-UHFFFAOYSA-N
MW160.22 g/mol
LogP1.99
Rot. Bonds1

About 5-propan-2-yl-3aH-pyrrolo[3,2-b]pyridine

5-propan-2-yl-3aH-pyrrolo[3,2-b]pyridine (PubChem CID 177123201) has the molecular formula C10H12N2 and a molecular weight of 160.22 g/mol. Its IUPAC name is 5-propan-2-yl-3aH-pyrrolo[3,2-b]pyridine.

Molecular Properties

Compound Name5-propan-2-yl-3aH-pyrrolo[3,2-b]pyridine
PubChem CID177123201
Molecular FormulaC10H12N2
Molecular Weight160.22 g/mol
Exact Mass160.10
IUPAC Name5-propan-2-yl-3aH-pyrrolo[3,2-b]pyridine
SMILESCC(C)C1=NC2C=CN=C2C=C1
InChIInChI=1S/C10H12N2/c1-7(2)8-3-4-9-10(12-8)5-6-11-9/h3-7,10H,1-2H3
InChIKeyZLTCEAWWWWEVHG-UHFFFAOYSA-N
XLogP1.99
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.22
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3aH-indole
CID 20627139
1-Methyl-5-propan-2-yl-3a,7a-dihydropyrrolo[3,2-b]pyridine
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CID 59151241
5-methyl-3aH-pyrrolo[3,2-b]pyridine
CID 59199740
2-tert-butyl-7aH-pyrrolo[3,2-b]pyridine
CID 59457874
2,5-ditert-butyl-3aH-pyrrolo[3,2-b]pyridine
CID 59591438
2-(3H-pyrrol-3-yl)-2H-pyrrole
CID 59806944
2-Methyl-4a,8a-dihydro-1,6-naphthyridine
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(2S)-2-methyl-6-propan-2-yl-2,3-dihydropyridine
CID 67991604
2-propan-2-yl-2H-indole
CID 68035386
2-Methyl-6-propan-2-yl-2,3-dihydropyridine
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CID 88538244

Frequently Asked Questions

What is the IUPAC name of 5-propan-2-yl-3aH-pyrrolo[3,2-b]pyridine?
The IUPAC name of 5-propan-2-yl-3aH-pyrrolo[3,2-b]pyridine (CID 177123201) is 5-propan-2-yl-3aH-pyrrolo[3,2-b]pyridine.
What is the SMILES notation for 5-propan-2-yl-3aH-pyrrolo[3,2-b]pyridine?
The canonical SMILES for 5-propan-2-yl-3aH-pyrrolo[3,2-b]pyridine is CC(C)C1=NC2C=CN=C2C=C1.
What is the InChIKey of 5-propan-2-yl-3aH-pyrrolo[3,2-b]pyridine?
The InChIKey is ZLTCEAWWWWEVHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2/c1-7(2)8-3-4-9-10(12-8)5-6-11-9/h3-7,10H,1-2H3.
What are the key properties of 5-propan-2-yl-3aH-pyrrolo[3,2-b]pyridine?
5-propan-2-yl-3aH-pyrrolo[3,2-b]pyridine has a molecular weight of 160.22 g/mol, XLogP of 1.99, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yl-3aH-pyrrolo[3,2-b]pyridine is sourced from PubChem (CID 177123201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).