2-[2-(1H-pyrrol-3-yl)propan-2-yl]-1H-pyrrole

C11H14N2 — CID 134968022

IUPAC2-[2-(1H-pyrrol-3-yl)propan-2-yl]-1H-pyrrole
SMILESCC(C)(c1cc[nH]c1)c1ccc[nH]1
InChIInChI=1S/C11H14N2/c1-11(2,9-5-7-12-8-9)10-4-3-6-13-10/h3-8,12-13H,1-2H3
InChIKeyLXXDJOLGNFHKDE-UHFFFAOYSA-N
MW174.25 g/mol
LogP2.67
Rot. Bonds2

About 2-[2-(1H-pyrrol-3-yl)propan-2-yl]-1H-pyrrole

2-[2-(1H-pyrrol-3-yl)propan-2-yl]-1H-pyrrole (PubChem CID 134968022) has the molecular formula C11H14N2 and a molecular weight of 174.25 g/mol. Its IUPAC name is 2-[2-(1H-pyrrol-3-yl)propan-2-yl]-1H-pyrrole.

Molecular Properties

Compound Name2-[2-(1H-pyrrol-3-yl)propan-2-yl]-1H-pyrrole
PubChem CID134968022
Molecular FormulaC11H14N2
Molecular Weight174.25 g/mol
Exact Mass174.12
IUPAC Name2-[2-(1H-pyrrol-3-yl)propan-2-yl]-1H-pyrrole
SMILESCC(C)(c1cc[nH]c1)c1ccc[nH]1
InChIInChI=1S/C11H14N2/c1-11(2,9-5-7-12-8-9)10-4-3-6-13-10/h3-8,12-13H,1-2H3
InChIKeyLXXDJOLGNFHKDE-UHFFFAOYSA-N
XLogP2.67
TPSA31.58 Ų
H-Bond Donors2
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.25
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(1H-pyrrol-3-yl)propan-2-yl]-1H-pyrrole?
The IUPAC name of 2-[2-(1H-pyrrol-3-yl)propan-2-yl]-1H-pyrrole (CID 134968022) is 2-[2-(1H-pyrrol-3-yl)propan-2-yl]-1H-pyrrole.
What is the SMILES notation for 2-[2-(1H-pyrrol-3-yl)propan-2-yl]-1H-pyrrole?
The canonical SMILES for 2-[2-(1H-pyrrol-3-yl)propan-2-yl]-1H-pyrrole is CC(C)(c1cc[nH]c1)c1ccc[nH]1.
What is the InChIKey of 2-[2-(1H-pyrrol-3-yl)propan-2-yl]-1H-pyrrole?
The InChIKey is LXXDJOLGNFHKDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2/c1-11(2,9-5-7-12-8-9)10-4-3-6-13-10/h3-8,12-13H,1-2H3.
What are the key properties of 2-[2-(1H-pyrrol-3-yl)propan-2-yl]-1H-pyrrole?
2-[2-(1H-pyrrol-3-yl)propan-2-yl]-1H-pyrrole has a molecular weight of 174.25 g/mol, XLogP of 2.67, 2 rotatable bonds, 2 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1H-pyrrol-3-yl)propan-2-yl]-1H-pyrrole is sourced from PubChem (CID 134968022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).