4-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)cinnoline

C15H18N4 — CID 66208672

IUPAC4-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)cinnoline
SMILESCC1C2CNCC2CN1c1cnnc2ccccc12
InChIInChI=1S/C15H18N4/c1-10-13-7-16-6-11(13)9-19(10)15-8-17-18-14-5-3-2-4-12(14)15/h2-5,8,10-11,13,16H,6-7,9H2,1H3
InChIKeyULHFUWVXTZVVGY-UHFFFAOYSA-N
MW254.34 g/mol
LogP1.67
Rot. Bonds1

About 4-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)cinnoline

4-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)cinnoline (PubChem CID 66208672) has the molecular formula C15H18N4 and a molecular weight of 254.34 g/mol. Its IUPAC name is 4-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)cinnoline.

Molecular Properties

Compound Name4-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)cinnoline
PubChem CID66208672
Molecular FormulaC15H18N4
Molecular Weight254.34 g/mol
Exact Mass254.15
IUPAC Name4-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)cinnoline
SMILESCC1C2CNCC2CN1c1cnnc2ccccc12
InChIInChI=1S/C15H18N4/c1-10-13-7-16-6-11(13)9-19(10)15-8-17-18-14-5-3-2-4-12(14)15/h2-5,8,10-11,13,16H,6-7,9H2,1H3
InChIKeyULHFUWVXTZVVGY-UHFFFAOYSA-N
XLogP1.67
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.34
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)cinnoline?
The IUPAC name of 4-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)cinnoline (CID 66208672) is 4-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)cinnoline.
What is the SMILES notation for 4-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)cinnoline?
The canonical SMILES for 4-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)cinnoline is CC1C2CNCC2CN1c1cnnc2ccccc12.
What is the InChIKey of 4-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)cinnoline?
The InChIKey is ULHFUWVXTZVVGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4/c1-10-13-7-16-6-11(13)9-19(10)15-8-17-18-14-5-3-2-4-12(14)15/h2-5,8,10-11,13,16H,6-7,9H2,1H3.
What are the key properties of 4-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)cinnoline?
4-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)cinnoline has a molecular weight of 254.34 g/mol, XLogP of 1.67, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)cinnoline is sourced from PubChem (CID 66208672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).