1-[4-(azetidin-2-yl)phenyl]pyrrole

C13H14N2 — CID 55273101

IUPAC1-[4-(azetidin-2-yl)phenyl]pyrrole
SMILESc1ccn(-c2ccc(C3CCN3)cc2)c1
InChIInChI=1S/C13H14N2/c1-2-10-15(9-1)12-5-3-11(4-6-12)13-7-8-14-13/h1-6,9-10,13-14H,7-8H2
InChIKeyQNCJPDJVVYWRBJ-UHFFFAOYSA-N
MW198.27 g/mol
LogP2.51
Rot. Bonds2

About 1-[4-(azetidin-2-yl)phenyl]pyrrole

1-[4-(azetidin-2-yl)phenyl]pyrrole (PubChem CID 55273101) has the molecular formula C13H14N2 and a molecular weight of 198.27 g/mol. Its IUPAC name is 1-[4-(azetidin-2-yl)phenyl]pyrrole.

Molecular Properties

Compound Name1-[4-(azetidin-2-yl)phenyl]pyrrole
PubChem CID55273101
Molecular FormulaC13H14N2
Molecular Weight198.27 g/mol
Exact Mass198.12
IUPAC Name1-[4-(azetidin-2-yl)phenyl]pyrrole
SMILESc1ccn(-c2ccc(C3CCN3)cc2)c1
InChIInChI=1S/C13H14N2/c1-2-10-15(9-1)12-5-3-11(4-6-12)13-7-8-14-13/h1-6,9-10,13-14H,7-8H2
InChIKeyQNCJPDJVVYWRBJ-UHFFFAOYSA-N
XLogP2.51
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(azetidin-2-yl)phenyl]pyrrole?
The IUPAC name of 1-[4-(azetidin-2-yl)phenyl]pyrrole (CID 55273101) is 1-[4-(azetidin-2-yl)phenyl]pyrrole.
What is the SMILES notation for 1-[4-(azetidin-2-yl)phenyl]pyrrole?
The canonical SMILES for 1-[4-(azetidin-2-yl)phenyl]pyrrole is c1ccn(-c2ccc(C3CCN3)cc2)c1.
What is the InChIKey of 1-[4-(azetidin-2-yl)phenyl]pyrrole?
The InChIKey is QNCJPDJVVYWRBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2/c1-2-10-15(9-1)12-5-3-11(4-6-12)13-7-8-14-13/h1-6,9-10,13-14H,7-8H2.
What are the key properties of 1-[4-(azetidin-2-yl)phenyl]pyrrole?
1-[4-(azetidin-2-yl)phenyl]pyrrole has a molecular weight of 198.27 g/mol, XLogP of 2.51, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(azetidin-2-yl)phenyl]pyrrole is sourced from PubChem (CID 55273101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).