4,5-di(propan-2-yl)pyrrolo[2,3-b]pyrrole

C12H16N2 — CID 90310340

IUPAC4,5-di(propan-2-yl)pyrrolo[2,3-b]pyrrole
SMILESCC(C)C1=C(C(C)C)C2=CC=NC2=N1
InChIInChI=1S/C12H16N2/c1-7(2)10-9-5-6-13-12(9)14-11(10)8(3)4/h5-8H,1-4H3
InChIKeyYCMACCSSWWMNPA-UHFFFAOYSA-N
MW188.27 g/mol
LogP2.98
Rot. Bonds2

About 4,5-di(propan-2-yl)pyrrolo[2,3-b]pyrrole

4,5-di(propan-2-yl)pyrrolo[2,3-b]pyrrole (PubChem CID 90310340) has the molecular formula C12H16N2 and a molecular weight of 188.27 g/mol. Its IUPAC name is 4,5-di(propan-2-yl)pyrrolo[2,3-b]pyrrole.

Molecular Properties

Compound Name4,5-di(propan-2-yl)pyrrolo[2,3-b]pyrrole
PubChem CID90310340
Molecular FormulaC12H16N2
Molecular Weight188.27 g/mol
Exact Mass188.13
IUPAC Name4,5-di(propan-2-yl)pyrrolo[2,3-b]pyrrole
SMILESCC(C)C1=C(C(C)C)C2=CC=NC2=N1
InChIInChI=1S/C12H16N2/c1-7(2)10-9-5-6-13-12(9)14-11(10)8(3)4/h5-8H,1-4H3
InChIKeyYCMACCSSWWMNPA-UHFFFAOYSA-N
XLogP2.98
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,5-di(propan-2-yl)pyrrolo[2,3-b]pyrrole?
The IUPAC name of 4,5-di(propan-2-yl)pyrrolo[2,3-b]pyrrole (CID 90310340) is 4,5-di(propan-2-yl)pyrrolo[2,3-b]pyrrole.
What is the SMILES notation for 4,5-di(propan-2-yl)pyrrolo[2,3-b]pyrrole?
The canonical SMILES for 4,5-di(propan-2-yl)pyrrolo[2,3-b]pyrrole is CC(C)C1=C(C(C)C)C2=CC=NC2=N1.
What is the InChIKey of 4,5-di(propan-2-yl)pyrrolo[2,3-b]pyrrole?
The InChIKey is YCMACCSSWWMNPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2/c1-7(2)10-9-5-6-13-12(9)14-11(10)8(3)4/h5-8H,1-4H3.
What are the key properties of 4,5-di(propan-2-yl)pyrrolo[2,3-b]pyrrole?
4,5-di(propan-2-yl)pyrrolo[2,3-b]pyrrole has a molecular weight of 188.27 g/mol, XLogP of 2.98, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-di(propan-2-yl)pyrrolo[2,3-b]pyrrole is sourced from PubChem (CID 90310340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).