2-(2-methylbutan-2-yl)-1,3-dihydropyrrolo[3,4-c]pyridine

C12H18N2 — CID 123786311

IUPAC2-(2-methylbutan-2-yl)-1,3-dihydropyrrolo[3,4-c]pyridine
SMILESCCC(C)(C)N1Cc2ccncc2C1
InChIInChI=1S/C12H18N2/c1-4-12(2,3)14-8-10-5-6-13-7-11(10)9-14/h5-7H,4,8-9H2,1-3H3
InChIKeyZRRANHWVWHMGDU-UHFFFAOYSA-N
MW190.29 g/mol
LogP2.59
Rot. Bonds2

About 2-(2-methylbutan-2-yl)-1,3-dihydropyrrolo[3,4-c]pyridine

2-(2-methylbutan-2-yl)-1,3-dihydropyrrolo[3,4-c]pyridine (PubChem CID 123786311) has the molecular formula C12H18N2 and a molecular weight of 190.29 g/mol. Its IUPAC name is 2-(2-methylbutan-2-yl)-1,3-dihydropyrrolo[3,4-c]pyridine.

Molecular Properties

Compound Name2-(2-methylbutan-2-yl)-1,3-dihydropyrrolo[3,4-c]pyridine
PubChem CID123786311
Molecular FormulaC12H18N2
Molecular Weight190.29 g/mol
Exact Mass190.15
IUPAC Name2-(2-methylbutan-2-yl)-1,3-dihydropyrrolo[3,4-c]pyridine
SMILESCCC(C)(C)N1Cc2ccncc2C1
InChIInChI=1S/C12H18N2/c1-4-12(2,3)14-8-10-5-6-13-7-11(10)9-14/h5-7H,4,8-9H2,1-3H3
InChIKeyZRRANHWVWHMGDU-UHFFFAOYSA-N
XLogP2.59
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylbutan-2-yl)-1,3-dihydropyrrolo[3,4-c]pyridine?
The IUPAC name of 2-(2-methylbutan-2-yl)-1,3-dihydropyrrolo[3,4-c]pyridine (CID 123786311) is 2-(2-methylbutan-2-yl)-1,3-dihydropyrrolo[3,4-c]pyridine.
What is the SMILES notation for 2-(2-methylbutan-2-yl)-1,3-dihydropyrrolo[3,4-c]pyridine?
The canonical SMILES for 2-(2-methylbutan-2-yl)-1,3-dihydropyrrolo[3,4-c]pyridine is CCC(C)(C)N1Cc2ccncc2C1.
What is the InChIKey of 2-(2-methylbutan-2-yl)-1,3-dihydropyrrolo[3,4-c]pyridine?
The InChIKey is ZRRANHWVWHMGDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2/c1-4-12(2,3)14-8-10-5-6-13-7-11(10)9-14/h5-7H,4,8-9H2,1-3H3.
What are the key properties of 2-(2-methylbutan-2-yl)-1,3-dihydropyrrolo[3,4-c]pyridine?
2-(2-methylbutan-2-yl)-1,3-dihydropyrrolo[3,4-c]pyridine has a molecular weight of 190.29 g/mol, XLogP of 2.59, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylbutan-2-yl)-1,3-dihydropyrrolo[3,4-c]pyridine is sourced from PubChem (CID 123786311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).