1-(2-pyrrol-1-ylethyl)pyrrole

C10H12N2 — CID 4210221

IUPAC1-(2-pyrrol-1-ylethyl)pyrrole
SMILESc1ccn(CCn2cccc2)c1
InChIInChI=1S/C10H12N2/c1-2-6-11(5-1)9-10-12-7-3-4-8-12/h1-8H,9-10H2
InChIKeyRWYHCXBGQOGTMW-UHFFFAOYSA-N
MW160.22 g/mol
LogP1.99
Rot. Bonds3

About 1-(2-pyrrol-1-ylethyl)pyrrole

1-(2-pyrrol-1-ylethyl)pyrrole (PubChem CID 4210221) has the molecular formula C10H12N2 and a molecular weight of 160.22 g/mol. Its IUPAC name is 1-(2-pyrrol-1-ylethyl)pyrrole.

Molecular Properties

Compound Name1-(2-pyrrol-1-ylethyl)pyrrole
PubChem CID4210221
Molecular FormulaC10H12N2
Molecular Weight160.22 g/mol
Exact Mass160.10
IUPAC Name1-(2-pyrrol-1-ylethyl)pyrrole
SMILESc1ccn(CCn2cccc2)c1
InChIInChI=1S/C10H12N2/c1-2-6-11(5-1)9-10-12-7-3-4-8-12/h1-8H,9-10H2
InChIKeyRWYHCXBGQOGTMW-UHFFFAOYSA-N
XLogP1.99
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.22
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-pyrrol-1-ylethyl)pyrrole?
The IUPAC name of 1-(2-pyrrol-1-ylethyl)pyrrole (CID 4210221) is 1-(2-pyrrol-1-ylethyl)pyrrole.
What is the SMILES notation for 1-(2-pyrrol-1-ylethyl)pyrrole?
The canonical SMILES for 1-(2-pyrrol-1-ylethyl)pyrrole is c1ccn(CCn2cccc2)c1.
What is the InChIKey of 1-(2-pyrrol-1-ylethyl)pyrrole?
The InChIKey is RWYHCXBGQOGTMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2/c1-2-6-11(5-1)9-10-12-7-3-4-8-12/h1-8H,9-10H2.
What are the key properties of 1-(2-pyrrol-1-ylethyl)pyrrole?
1-(2-pyrrol-1-ylethyl)pyrrole has a molecular weight of 160.22 g/mol, XLogP of 1.99, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-pyrrol-1-ylethyl)pyrrole is sourced from PubChem (CID 4210221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).