2-(1-phenylazetidin-2-yl)-1H-pyrrole

C13H14N2 — CID 174746574

IUPAC2-(1-phenylazetidin-2-yl)-1H-pyrrole
SMILESc1ccc(N2CCC2c2ccc[nH]2)cc1
InChIInChI=1S/C13H14N2/c1-2-5-11(6-3-1)15-10-8-13(15)12-7-4-9-14-12/h1-7,9,13-14H,8,10H2
InChIKeyZQZGZSOTWINJML-UHFFFAOYSA-N
MW198.27 g/mol
LogP2.97
Rot. Bonds2

About 2-(1-phenylazetidin-2-yl)-1H-pyrrole

2-(1-phenylazetidin-2-yl)-1H-pyrrole (PubChem CID 174746574) has the molecular formula C13H14N2 and a molecular weight of 198.27 g/mol. Its IUPAC name is 2-(1-phenylazetidin-2-yl)-1H-pyrrole.

Molecular Properties

Compound Name2-(1-phenylazetidin-2-yl)-1H-pyrrole
PubChem CID174746574
Molecular FormulaC13H14N2
Molecular Weight198.27 g/mol
Exact Mass198.12
IUPAC Name2-(1-phenylazetidin-2-yl)-1H-pyrrole
SMILESc1ccc(N2CCC2c2ccc[nH]2)cc1
InChIInChI=1S/C13H14N2/c1-2-5-11(6-3-1)15-10-8-13(15)12-7-4-9-14-12/h1-7,9,13-14H,8,10H2
InChIKeyZQZGZSOTWINJML-UHFFFAOYSA-N
XLogP2.97
TPSA19.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(1-phenylazetidin-2-yl)-1H-pyrrole?
The IUPAC name of 2-(1-phenylazetidin-2-yl)-1H-pyrrole (CID 174746574) is 2-(1-phenylazetidin-2-yl)-1H-pyrrole.
What is the SMILES notation for 2-(1-phenylazetidin-2-yl)-1H-pyrrole?
The canonical SMILES for 2-(1-phenylazetidin-2-yl)-1H-pyrrole is c1ccc(N2CCC2c2ccc[nH]2)cc1.
What is the InChIKey of 2-(1-phenylazetidin-2-yl)-1H-pyrrole?
The InChIKey is ZQZGZSOTWINJML-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2/c1-2-5-11(6-3-1)15-10-8-13(15)12-7-4-9-14-12/h1-7,9,13-14H,8,10H2.
What are the key properties of 2-(1-phenylazetidin-2-yl)-1H-pyrrole?
2-(1-phenylazetidin-2-yl)-1H-pyrrole has a molecular weight of 198.27 g/mol, XLogP of 2.97, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-phenylazetidin-2-yl)-1H-pyrrole is sourced from PubChem (CID 174746574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).