3-propan-2-yl-5,7a-dihydro-4aH-pyrrolo[3,4-b]pyridine

C10H14N2 — CID 157071248

IUPAC3-propan-2-yl-5,7a-dihydro-4aH-pyrrolo[3,4-b]pyridine
SMILESCC(C)C1=CC2CN=CC2N=C1
InChIInChI=1S/C10H14N2/c1-7(2)8-3-9-4-11-6-10(9)12-5-8/h3,5-7,9-10H,4H2,1-2H3
InChIKeyMIYCFISCQAHJPW-UHFFFAOYSA-N
MW162.24 g/mol
LogP1.72
Rot. Bonds1

About 3-propan-2-yl-5,7a-dihydro-4aH-pyrrolo[3,4-b]pyridine

3-propan-2-yl-5,7a-dihydro-4aH-pyrrolo[3,4-b]pyridine (PubChem CID 157071248) has the molecular formula C10H14N2 and a molecular weight of 162.24 g/mol. Its IUPAC name is 3-propan-2-yl-5,7a-dihydro-4aH-pyrrolo[3,4-b]pyridine.

Molecular Properties

Compound Name3-propan-2-yl-5,7a-dihydro-4aH-pyrrolo[3,4-b]pyridine
PubChem CID157071248
Molecular FormulaC10H14N2
Molecular Weight162.24 g/mol
Exact Mass162.12
IUPAC Name3-propan-2-yl-5,7a-dihydro-4aH-pyrrolo[3,4-b]pyridine
SMILESCC(C)C1=CC2CN=CC2N=C1
InChIInChI=1S/C10H14N2/c1-7(2)8-3-9-4-11-6-10(9)12-5-8/h3,5-7,9-10H,4H2,1-2H3
InChIKeyMIYCFISCQAHJPW-UHFFFAOYSA-N
XLogP1.72
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 ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5,7a-dihydro-4aH-pyrrolo[3,4-b]pyridine
CID 17848308
2,3,4-Trimethyl-2,3-dihydropyridine
CID 53836102
3,5-Diethyl-2,3-dihydropyridine
CID 54235037
(3S)-2,3,4-trimethyl-2,3-dihydropyridine
CID 68030579
3a,4-dihydro-1H-pyrrolo[3,4-c]pyridine
CID 68634455
2-Methyl-5-propan-2-yl-2,3-dihydropyridine
CID 89142449
2,3,5-Trimethyl-2,3-dihydropyridine
CID 89419782
7,7a-dihydro-4aH-pyrrolo[3,4-b]pyridine
CID 91802564
5,7a-dihydro-1H-isoindole
CID 123946634
3-Ethenyl-2,5-dimethyl-2,3-dihydropyridine
CID 164002640
2,4-Dimethyl-3-prop-1-en-2-yl-2,3-dihydropyridine
CID 167231824
4-methyl-2-propan-2-yl-2H-pyrrole
CID 170762944

Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-5,7a-dihydro-4aH-pyrrolo[3,4-b]pyridine?
The IUPAC name of 3-propan-2-yl-5,7a-dihydro-4aH-pyrrolo[3,4-b]pyridine (CID 157071248) is 3-propan-2-yl-5,7a-dihydro-4aH-pyrrolo[3,4-b]pyridine.
What is the SMILES notation for 3-propan-2-yl-5,7a-dihydro-4aH-pyrrolo[3,4-b]pyridine?
The canonical SMILES for 3-propan-2-yl-5,7a-dihydro-4aH-pyrrolo[3,4-b]pyridine is CC(C)C1=CC2CN=CC2N=C1.
What is the InChIKey of 3-propan-2-yl-5,7a-dihydro-4aH-pyrrolo[3,4-b]pyridine?
The InChIKey is MIYCFISCQAHJPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2/c1-7(2)8-3-9-4-11-6-10(9)12-5-8/h3,5-7,9-10H,4H2,1-2H3.
What are the key properties of 3-propan-2-yl-5,7a-dihydro-4aH-pyrrolo[3,4-b]pyridine?
3-propan-2-yl-5,7a-dihydro-4aH-pyrrolo[3,4-b]pyridine has a molecular weight of 162.24 g/mol, XLogP of 1.72, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-5,7a-dihydro-4aH-pyrrolo[3,4-b]pyridine is sourced from PubChem (CID 157071248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).