4,6-di(propan-2-yl)-2,3-dihydro-1H-pyrrolo[3,4-c]pyridine

C13H20N2 — CID 177282951

IUPAC4,6-di(propan-2-yl)-2,3-dihydro-1H-pyrrolo[3,4-c]pyridine
SMILESCC(C)c1cc2c(c(C(C)C)n1)CNC2
InChIInChI=1S/C13H20N2/c1-8(2)12-5-10-6-14-7-11(10)13(15-12)9(3)4/h5,8-9,14H,6-7H2,1-4H3
InChIKeySKTPSLJCCLUVFJ-UHFFFAOYSA-N
MW204.32 g/mol
LogP2.93
Rot. Bonds2

About 4,6-di(propan-2-yl)-2,3-dihydro-1H-pyrrolo[3,4-c]pyridine

4,6-di(propan-2-yl)-2,3-dihydro-1H-pyrrolo[3,4-c]pyridine (PubChem CID 177282951) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is 4,6-di(propan-2-yl)-2,3-dihydro-1H-pyrrolo[3,4-c]pyridine.

Molecular Properties

Compound Name4,6-di(propan-2-yl)-2,3-dihydro-1H-pyrrolo[3,4-c]pyridine
PubChem CID177282951
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC Name4,6-di(propan-2-yl)-2,3-dihydro-1H-pyrrolo[3,4-c]pyridine
SMILESCC(C)c1cc2c(c(C(C)C)n1)CNC2
InChIInChI=1S/C13H20N2/c1-8(2)12-5-10-6-14-7-11(10)13(15-12)9(3)4/h5,8-9,14H,6-7H2,1-4H3
InChIKeySKTPSLJCCLUVFJ-UHFFFAOYSA-N
XLogP2.93
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,6-di(propan-2-yl)-2,3-dihydro-1H-pyrrolo[3,4-c]pyridine?
The IUPAC name of 4,6-di(propan-2-yl)-2,3-dihydro-1H-pyrrolo[3,4-c]pyridine (CID 177282951) is 4,6-di(propan-2-yl)-2,3-dihydro-1H-pyrrolo[3,4-c]pyridine.
What is the SMILES notation for 4,6-di(propan-2-yl)-2,3-dihydro-1H-pyrrolo[3,4-c]pyridine?
The canonical SMILES for 4,6-di(propan-2-yl)-2,3-dihydro-1H-pyrrolo[3,4-c]pyridine is CC(C)c1cc2c(c(C(C)C)n1)CNC2.
What is the InChIKey of 4,6-di(propan-2-yl)-2,3-dihydro-1H-pyrrolo[3,4-c]pyridine?
The InChIKey is SKTPSLJCCLUVFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2/c1-8(2)12-5-10-6-14-7-11(10)13(15-12)9(3)4/h5,8-9,14H,6-7H2,1-4H3.
What are the key properties of 4,6-di(propan-2-yl)-2,3-dihydro-1H-pyrrolo[3,4-c]pyridine?
4,6-di(propan-2-yl)-2,3-dihydro-1H-pyrrolo[3,4-c]pyridine has a molecular weight of 204.32 g/mol, XLogP of 2.93, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-di(propan-2-yl)-2,3-dihydro-1H-pyrrolo[3,4-c]pyridine is sourced from PubChem (CID 177282951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).