1-methyl-2-[(Z)-2-[2-[(E)-2-(1-methylpyrrol-2-yl)ethenyl]phenyl]ethenyl]pyrrole

C20H20N2 — CID 23242926

IUPAC1-methyl-2-[(Z)-2-[2-[(E)-2-(1-methylpyrrol-2-yl)ethenyl]phenyl]ethenyl]pyrrole
SMILESCn1cccc1/C=C\c1ccccc1/C=C/c1cccn1C
InChIInChI=1S/C20H20N2/c1-21-15-5-9-19(21)13-11-17-7-3-4-8-18(17)12-14-20-10-6-16-22(20)2/h3-16H,1-2H3/b13-11-,14-12+
InChIKeyUEAMHXWYKSYVFL-HEEUSZRZSA-N
MW288.39 g/mol
LogP4.70
Rot. Bonds4

About 1-methyl-2-[(Z)-2-[2-[(E)-2-(1-methylpyrrol-2-yl)ethenyl]phenyl]ethenyl]pyrrole

1-methyl-2-[(Z)-2-[2-[(E)-2-(1-methylpyrrol-2-yl)ethenyl]phenyl]ethenyl]pyrrole (PubChem CID 23242926) has the molecular formula C20H20N2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 1-methyl-2-[(Z)-2-[2-[(E)-2-(1-methylpyrrol-2-yl)ethenyl]phenyl]ethenyl]pyrrole.

Molecular Properties

Compound Name1-methyl-2-[(Z)-2-[2-[(E)-2-(1-methylpyrrol-2-yl)ethenyl]phenyl]ethenyl]pyrrole
PubChem CID23242926
Molecular FormulaC20H20N2
Molecular Weight288.39 g/mol
Exact Mass288.16
IUPAC Name1-methyl-2-[(Z)-2-[2-[(E)-2-(1-methylpyrrol-2-yl)ethenyl]phenyl]ethenyl]pyrrole
SMILESCn1cccc1/C=C\c1ccccc1/C=C/c1cccn1C
InChIInChI=1S/C20H20N2/c1-21-15-5-9-19(21)13-11-17-7-3-4-8-18(17)12-14-20-10-6-16-22(20)2/h3-16H,1-2H3/b13-11-,14-12+
InChIKeyUEAMHXWYKSYVFL-HEEUSZRZSA-N
XLogP4.70
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-[(Z)-2-[2-[(E)-2-(1-methylpyrrol-2-yl)ethenyl]phenyl]ethenyl]pyrrole?
The IUPAC name of 1-methyl-2-[(Z)-2-[2-[(E)-2-(1-methylpyrrol-2-yl)ethenyl]phenyl]ethenyl]pyrrole (CID 23242926) is 1-methyl-2-[(Z)-2-[2-[(E)-2-(1-methylpyrrol-2-yl)ethenyl]phenyl]ethenyl]pyrrole.
What is the SMILES notation for 1-methyl-2-[(Z)-2-[2-[(E)-2-(1-methylpyrrol-2-yl)ethenyl]phenyl]ethenyl]pyrrole?
The canonical SMILES for 1-methyl-2-[(Z)-2-[2-[(E)-2-(1-methylpyrrol-2-yl)ethenyl]phenyl]ethenyl]pyrrole is Cn1cccc1/C=C\c1ccccc1/C=C/c1cccn1C.
What is the InChIKey of 1-methyl-2-[(Z)-2-[2-[(E)-2-(1-methylpyrrol-2-yl)ethenyl]phenyl]ethenyl]pyrrole?
The InChIKey is UEAMHXWYKSYVFL-HEEUSZRZSA-N. The full InChI is InChI=1S/C20H20N2/c1-21-15-5-9-19(21)13-11-17-7-3-4-8-18(17)12-14-20-10-6-16-22(20)2/h3-16H,1-2H3/b13-11-,14-12+.
What are the key properties of 1-methyl-2-[(Z)-2-[2-[(E)-2-(1-methylpyrrol-2-yl)ethenyl]phenyl]ethenyl]pyrrole?
1-methyl-2-[(Z)-2-[2-[(E)-2-(1-methylpyrrol-2-yl)ethenyl]phenyl]ethenyl]pyrrole has a molecular weight of 288.39 g/mol, XLogP of 4.70, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-[(Z)-2-[2-[(E)-2-(1-methylpyrrol-2-yl)ethenyl]phenyl]ethenyl]pyrrole is sourced from PubChem (CID 23242926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).