2-[bis(1H-pyrrol-2-yl)methyl]-1H-pyrrole

C13H13N3 — CID 15504353

IUPAC2-[bis(1H-pyrrol-2-yl)methyl]-1H-pyrrole
SMILESc1c[nH]c(C(c2ccc[nH]2)c2ccc[nH]2)c1
InChIInChI=1S/C13H13N3/c1-4-10(14-7-1)13(11-5-2-8-15-11)12-6-3-9-16-12/h1-9,13-16H
InChIKeyKPGQDBTYMFDLKO-UHFFFAOYSA-N
MW211.27 g/mol
LogP2.85
Rot. Bonds3

About 2-[bis(1H-pyrrol-2-yl)methyl]-1H-pyrrole

2-[bis(1H-pyrrol-2-yl)methyl]-1H-pyrrole (PubChem CID 15504353) has the molecular formula C13H13N3 and a molecular weight of 211.27 g/mol. Its IUPAC name is 2-[bis(1H-pyrrol-2-yl)methyl]-1H-pyrrole.

Molecular Properties

Compound Name2-[bis(1H-pyrrol-2-yl)methyl]-1H-pyrrole
PubChem CID15504353
Molecular FormulaC13H13N3
Molecular Weight211.27 g/mol
Exact Mass211.11
IUPAC Name2-[bis(1H-pyrrol-2-yl)methyl]-1H-pyrrole
SMILESc1c[nH]c(C(c2ccc[nH]2)c2ccc[nH]2)c1
InChIInChI=1S/C13H13N3/c1-4-10(14-7-1)13(11-5-2-8-15-11)12-6-3-9-16-12/h1-9,13-16H
InChIKeyKPGQDBTYMFDLKO-UHFFFAOYSA-N
XLogP2.85
TPSA47.37 Ų
H-Bond Donors3
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.27
LogP ≤ 52.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 100

Analyze 2-[bis(1H-pyrrol-2-yl)methyl]-1H-pyrrole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[bis(1H-pyrrol-2-yl)methyl]-1H-pyrrole?
The IUPAC name of 2-[bis(1H-pyrrol-2-yl)methyl]-1H-pyrrole (CID 15504353) is 2-[bis(1H-pyrrol-2-yl)methyl]-1H-pyrrole.
What is the SMILES notation for 2-[bis(1H-pyrrol-2-yl)methyl]-1H-pyrrole?
The canonical SMILES for 2-[bis(1H-pyrrol-2-yl)methyl]-1H-pyrrole is c1c[nH]c(C(c2ccc[nH]2)c2ccc[nH]2)c1.
What is the InChIKey of 2-[bis(1H-pyrrol-2-yl)methyl]-1H-pyrrole?
The InChIKey is KPGQDBTYMFDLKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3/c1-4-10(14-7-1)13(11-5-2-8-15-11)12-6-3-9-16-12/h1-9,13-16H.
What are the key properties of 2-[bis(1H-pyrrol-2-yl)methyl]-1H-pyrrole?
2-[bis(1H-pyrrol-2-yl)methyl]-1H-pyrrole has a molecular weight of 211.27 g/mol, XLogP of 2.85, 3 rotatable bonds, 3 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(1H-pyrrol-2-yl)methyl]-1H-pyrrole is sourced from PubChem (CID 15504353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).