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

C10H16N2 — CID 131997938

IUPAC3-methyl-5-propan-2-yl-4,6-dihydro-2H-pyrrolo[3,4-b]pyrrole
SMILESCC1=C2CN(C(C)C)CC2=NC1
InChIInChI=1S/C10H16N2/c1-7(2)12-5-9-8(3)4-11-10(9)6-12/h7H,4-6H2,1-3H3
InChIKeyMGAUFYCLZSJWBW-UHFFFAOYSA-N
MW164.25 g/mol
LogP1.48
Rot. Bonds1

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

3-methyl-5-propan-2-yl-4,6-dihydro-2H-pyrrolo[3,4-b]pyrrole (PubChem CID 131997938) has the molecular formula C10H16N2 and a molecular weight of 164.25 g/mol. Its IUPAC name is 3-methyl-5-propan-2-yl-4,6-dihydro-2H-pyrrolo[3,4-b]pyrrole.

Molecular Properties

Compound Name3-methyl-5-propan-2-yl-4,6-dihydro-2H-pyrrolo[3,4-b]pyrrole
PubChem CID131997938
Molecular FormulaC10H16N2
Molecular Weight164.25 g/mol
Exact Mass164.13
IUPAC Name3-methyl-5-propan-2-yl-4,6-dihydro-2H-pyrrolo[3,4-b]pyrrole
SMILESCC1=C2CN(C(C)C)CC2=NC1
InChIInChI=1S/C10H16N2/c1-7(2)12-5-9-8(3)4-11-10(9)6-12/h7H,4-6H2,1-3H3
InChIKeyMGAUFYCLZSJWBW-UHFFFAOYSA-N
XLogP1.48
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-propan-2-yl-4,6-dihydro-2H-pyrrolo[3,4-b]pyrrole?
The IUPAC name of 3-methyl-5-propan-2-yl-4,6-dihydro-2H-pyrrolo[3,4-b]pyrrole (CID 131997938) is 3-methyl-5-propan-2-yl-4,6-dihydro-2H-pyrrolo[3,4-b]pyrrole.
What is the SMILES notation for 3-methyl-5-propan-2-yl-4,6-dihydro-2H-pyrrolo[3,4-b]pyrrole?
The canonical SMILES for 3-methyl-5-propan-2-yl-4,6-dihydro-2H-pyrrolo[3,4-b]pyrrole is CC1=C2CN(C(C)C)CC2=NC1.
What is the InChIKey of 3-methyl-5-propan-2-yl-4,6-dihydro-2H-pyrrolo[3,4-b]pyrrole?
The InChIKey is MGAUFYCLZSJWBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2/c1-7(2)12-5-9-8(3)4-11-10(9)6-12/h7H,4-6H2,1-3H3.
What are the key properties of 3-methyl-5-propan-2-yl-4,6-dihydro-2H-pyrrolo[3,4-b]pyrrole?
3-methyl-5-propan-2-yl-4,6-dihydro-2H-pyrrolo[3,4-b]pyrrole has a molecular weight of 164.25 g/mol, XLogP of 1.48, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-propan-2-yl-4,6-dihydro-2H-pyrrolo[3,4-b]pyrrole is sourced from PubChem (CID 131997938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).