1-[di(pyrrol-1-yl)methyl]pyrrole

C13H13N3 — CID 91186202

IUPAC1-[di(pyrrol-1-yl)methyl]pyrrole
SMILESc1ccn(C(n2cccc2)n2cccc2)c1
InChIInChI=1S/C13H13N3/c1-2-8-14(7-1)13(15-9-3-4-10-15)16-11-5-6-12-16/h1-13H
InChIKeyYOYGRFUBCTXPNO-UHFFFAOYSA-N
MW211.27 g/mol
LogP2.64
Rot. Bonds3

About 1-[di(pyrrol-1-yl)methyl]pyrrole

1-[di(pyrrol-1-yl)methyl]pyrrole (PubChem CID 91186202) has the molecular formula C13H13N3 and a molecular weight of 211.27 g/mol. Its IUPAC name is 1-[di(pyrrol-1-yl)methyl]pyrrole.

Molecular Properties

Compound Name1-[di(pyrrol-1-yl)methyl]pyrrole
PubChem CID91186202
Molecular FormulaC13H13N3
Molecular Weight211.27 g/mol
Exact Mass211.11
IUPAC Name1-[di(pyrrol-1-yl)methyl]pyrrole
SMILESc1ccn(C(n2cccc2)n2cccc2)c1
InChIInChI=1S/C13H13N3/c1-2-8-14(7-1)13(15-9-3-4-10-15)16-11-5-6-12-16/h1-13H
InChIKeyYOYGRFUBCTXPNO-UHFFFAOYSA-N
XLogP2.64
TPSA14.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.27
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[di(pyrrol-1-yl)methyl]pyrrole?
The IUPAC name of 1-[di(pyrrol-1-yl)methyl]pyrrole (CID 91186202) is 1-[di(pyrrol-1-yl)methyl]pyrrole.
What is the SMILES notation for 1-[di(pyrrol-1-yl)methyl]pyrrole?
The canonical SMILES for 1-[di(pyrrol-1-yl)methyl]pyrrole is c1ccn(C(n2cccc2)n2cccc2)c1.
What is the InChIKey of 1-[di(pyrrol-1-yl)methyl]pyrrole?
The InChIKey is YOYGRFUBCTXPNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3/c1-2-8-14(7-1)13(15-9-3-4-10-15)16-11-5-6-12-16/h1-13H.
What are the key properties of 1-[di(pyrrol-1-yl)methyl]pyrrole?
1-[di(pyrrol-1-yl)methyl]pyrrole has a molecular weight of 211.27 g/mol, XLogP of 2.64, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[di(pyrrol-1-yl)methyl]pyrrole is sourced from PubChem (CID 91186202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).