1-ethenyl-2-(1-methylpyrrol-2-yl)pyrrole

C11H12N2 — CID 15698587

IUPAC1-ethenyl-2-(1-methylpyrrol-2-yl)pyrrole
SMILESC=Cn1cccc1-c1cccn1C
InChIInChI=1S/C11H12N2/c1-3-13-9-5-7-11(13)10-6-4-8-12(10)2/h3-9H,1H2,2H3
InChIKeyXCVNPWFUGROYKD-UHFFFAOYSA-N
MW172.23 g/mol
LogP2.59
Rot. Bonds2

About 1-ethenyl-2-(1-methylpyrrol-2-yl)pyrrole

1-ethenyl-2-(1-methylpyrrol-2-yl)pyrrole (PubChem CID 15698587) has the molecular formula C11H12N2 and a molecular weight of 172.23 g/mol. Its IUPAC name is 1-ethenyl-2-(1-methylpyrrol-2-yl)pyrrole.

Molecular Properties

Compound Name1-ethenyl-2-(1-methylpyrrol-2-yl)pyrrole
PubChem CID15698587
Molecular FormulaC11H12N2
Molecular Weight172.23 g/mol
Exact Mass172.10
IUPAC Name1-ethenyl-2-(1-methylpyrrol-2-yl)pyrrole
SMILESC=Cn1cccc1-c1cccn1C
InChIInChI=1S/C11H12N2/c1-3-13-9-5-7-11(13)10-6-4-8-12(10)2/h3-9H,1H2,2H3
InChIKeyXCVNPWFUGROYKD-UHFFFAOYSA-N
XLogP2.59
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-2-(1-methylpyrrol-2-yl)pyrrole?
The IUPAC name of 1-ethenyl-2-(1-methylpyrrol-2-yl)pyrrole (CID 15698587) is 1-ethenyl-2-(1-methylpyrrol-2-yl)pyrrole.
What is the SMILES notation for 1-ethenyl-2-(1-methylpyrrol-2-yl)pyrrole?
The canonical SMILES for 1-ethenyl-2-(1-methylpyrrol-2-yl)pyrrole is C=Cn1cccc1-c1cccn1C.
What is the InChIKey of 1-ethenyl-2-(1-methylpyrrol-2-yl)pyrrole?
The InChIKey is XCVNPWFUGROYKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2/c1-3-13-9-5-7-11(13)10-6-4-8-12(10)2/h3-9H,1H2,2H3.
What are the key properties of 1-ethenyl-2-(1-methylpyrrol-2-yl)pyrrole?
1-ethenyl-2-(1-methylpyrrol-2-yl)pyrrole has a molecular weight of 172.23 g/mol, XLogP of 2.59, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-2-(1-methylpyrrol-2-yl)pyrrole is sourced from PubChem (CID 15698587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).