(6Z)-3-methyl-5-[1-(5-methyl-1,2-dihydropyridin-3-yl)ethyl]-6-propylidene-1,4-dihydropyrrolo[3,4-c]pyrrole

C18H25N3 — CID 130389878

IUPAC(6Z)-3-methyl-5-[1-(5-methyl-1,2-dihydropyridin-3-yl)ethyl]-6-propylidene-1,4-dihydropyrrolo[3,4-c]pyrrole
SMILESCC/C=C1/C2=C(CN1C(C)C1=CC(C)=CNC1)C(C)=NC2
InChIInChI=1S/C18H25N3/c1-5-6-18-16-10-20-13(3)17(16)11-21(18)14(4)15-7-12(2)8-19-9-15/h6-8,14,19H,5,9-11H2,1-4H3/b18-6-
InChIKeyUVODUEJNGBYZIZ-FXBPXSCXSA-N
MW283.42 g/mol
LogP3.19
Rot. Bonds3

About (6Z)-3-methyl-5-[1-(5-methyl-1,2-dihydropyridin-3-yl)ethyl]-6-propylidene-1,4-dihydropyrrolo[3,4-c]pyrrole

(6Z)-3-methyl-5-[1-(5-methyl-1,2-dihydropyridin-3-yl)ethyl]-6-propylidene-1,4-dihydropyrrolo[3,4-c]pyrrole (PubChem CID 130389878) has the molecular formula C18H25N3 and a molecular weight of 283.42 g/mol. Its IUPAC name is (6Z)-3-methyl-5-[1-(5-methyl-1,2-dihydropyridin-3-yl)ethyl]-6-propylidene-1,4-dihydropyrrolo[3,4-c]pyrrole.

Molecular Properties

Compound Name(6Z)-3-methyl-5-[1-(5-methyl-1,2-dihydropyridin-3-yl)ethyl]-6-propylidene-1,4-dihydropyrrolo[3,4-c]pyrrole
PubChem CID130389878
Molecular FormulaC18H25N3
Molecular Weight283.42 g/mol
Exact Mass283.20
IUPAC Name(6Z)-3-methyl-5-[1-(5-methyl-1,2-dihydropyridin-3-yl)ethyl]-6-propylidene-1,4-dihydropyrrolo[3,4-c]pyrrole
SMILESCC/C=C1/C2=C(CN1C(C)C1=CC(C)=CNC1)C(C)=NC2
InChIInChI=1S/C18H25N3/c1-5-6-18-16-10-20-13(3)17(16)11-21(18)14(4)15-7-12(2)8-19-9-15/h6-8,14,19H,5,9-11H2,1-4H3/b18-6-
InChIKeyUVODUEJNGBYZIZ-FXBPXSCXSA-N
XLogP3.19
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (6Z)-3-methyl-5-[1-(5-methyl-1,2-dihydropyridin-3-yl)ethyl]-6-propylidene-1,4-dihydropyrrolo[3,4-c]pyrrole?
The IUPAC name of (6Z)-3-methyl-5-[1-(5-methyl-1,2-dihydropyridin-3-yl)ethyl]-6-propylidene-1,4-dihydropyrrolo[3,4-c]pyrrole (CID 130389878) is (6Z)-3-methyl-5-[1-(5-methyl-1,2-dihydropyridin-3-yl)ethyl]-6-propylidene-1,4-dihydropyrrolo[3,4-c]pyrrole.
What is the SMILES notation for (6Z)-3-methyl-5-[1-(5-methyl-1,2-dihydropyridin-3-yl)ethyl]-6-propylidene-1,4-dihydropyrrolo[3,4-c]pyrrole?
The canonical SMILES for (6Z)-3-methyl-5-[1-(5-methyl-1,2-dihydropyridin-3-yl)ethyl]-6-propylidene-1,4-dihydropyrrolo[3,4-c]pyrrole is CC/C=C1/C2=C(CN1C(C)C1=CC(C)=CNC1)C(C)=NC2.
What is the InChIKey of (6Z)-3-methyl-5-[1-(5-methyl-1,2-dihydropyridin-3-yl)ethyl]-6-propylidene-1,4-dihydropyrrolo[3,4-c]pyrrole?
The InChIKey is UVODUEJNGBYZIZ-FXBPXSCXSA-N. The full InChI is InChI=1S/C18H25N3/c1-5-6-18-16-10-20-13(3)17(16)11-21(18)14(4)15-7-12(2)8-19-9-15/h6-8,14,19H,5,9-11H2,1-4H3/b18-6-.
What are the key properties of (6Z)-3-methyl-5-[1-(5-methyl-1,2-dihydropyridin-3-yl)ethyl]-6-propylidene-1,4-dihydropyrrolo[3,4-c]pyrrole?
(6Z)-3-methyl-5-[1-(5-methyl-1,2-dihydropyridin-3-yl)ethyl]-6-propylidene-1,4-dihydropyrrolo[3,4-c]pyrrole has a molecular weight of 283.42 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6Z)-3-methyl-5-[1-(5-methyl-1,2-dihydropyridin-3-yl)ethyl]-6-propylidene-1,4-dihydropyrrolo[3,4-c]pyrrole is sourced from PubChem (CID 130389878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).