5-propan-2-yl-4,6-dihydro-1H-pyrrolo[3,4-b]pyrrole

C9H14N2 — CID 130260798

IUPAC5-propan-2-yl-4,6-dihydro-1H-pyrrolo[3,4-b]pyrrole
SMILESCC(C)N1Cc2cc[nH]c2C1
InChIInChI=1S/C9H14N2/c1-7(2)11-5-8-3-4-10-9(8)6-11/h3-4,7,10H,5-6H2,1-2H3
InChIKeyZFJAYHWUXNOUDA-UHFFFAOYSA-N
MW150.22 g/mol
LogP1.74
Rot. Bonds1

About 5-propan-2-yl-4,6-dihydro-1H-pyrrolo[3,4-b]pyrrole

5-propan-2-yl-4,6-dihydro-1H-pyrrolo[3,4-b]pyrrole (PubChem CID 130260798) has the molecular formula C9H14N2 and a molecular weight of 150.22 g/mol. Its IUPAC name is 5-propan-2-yl-4,6-dihydro-1H-pyrrolo[3,4-b]pyrrole.

Molecular Properties

Compound Name5-propan-2-yl-4,6-dihydro-1H-pyrrolo[3,4-b]pyrrole
PubChem CID130260798
Molecular FormulaC9H14N2
Molecular Weight150.22 g/mol
Exact Mass150.12
IUPAC Name5-propan-2-yl-4,6-dihydro-1H-pyrrolo[3,4-b]pyrrole
SMILESCC(C)N1Cc2cc[nH]c2C1
InChIInChI=1S/C9H14N2/c1-7(2)11-5-8-3-4-10-9(8)6-11/h3-4,7,10H,5-6H2,1-2H3
InChIKeyZFJAYHWUXNOUDA-UHFFFAOYSA-N
XLogP1.74
TPSA19.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-propan-2-yl-4,6-dihydro-1H-pyrrolo[3,4-b]pyrrole?
The IUPAC name of 5-propan-2-yl-4,6-dihydro-1H-pyrrolo[3,4-b]pyrrole (CID 130260798) is 5-propan-2-yl-4,6-dihydro-1H-pyrrolo[3,4-b]pyrrole.
What is the SMILES notation for 5-propan-2-yl-4,6-dihydro-1H-pyrrolo[3,4-b]pyrrole?
The canonical SMILES for 5-propan-2-yl-4,6-dihydro-1H-pyrrolo[3,4-b]pyrrole is CC(C)N1Cc2cc[nH]c2C1.
What is the InChIKey of 5-propan-2-yl-4,6-dihydro-1H-pyrrolo[3,4-b]pyrrole?
The InChIKey is ZFJAYHWUXNOUDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2/c1-7(2)11-5-8-3-4-10-9(8)6-11/h3-4,7,10H,5-6H2,1-2H3.
What are the key properties of 5-propan-2-yl-4,6-dihydro-1H-pyrrolo[3,4-b]pyrrole?
5-propan-2-yl-4,6-dihydro-1H-pyrrolo[3,4-b]pyrrole has a molecular weight of 150.22 g/mol, XLogP of 1.74, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yl-4,6-dihydro-1H-pyrrolo[3,4-b]pyrrole is sourced from PubChem (CID 130260798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).