2-[(3-cyclopropylazetidin-1-yl)methyl]-1H-pyrrole

C11H16N2 — CID 131084634

IUPAC2-[(3-cyclopropylazetidin-1-yl)methyl]-1H-pyrrole
SMILESc1c[nH]c(CN2CC(C3CC3)C2)c1
InChIInChI=1S/C11H16N2/c1-2-11(12-5-1)8-13-6-10(7-13)9-3-4-9/h1-2,5,9-10,12H,3-4,6-8H2
InChIKeyWYIMBRILFZTNFC-UHFFFAOYSA-N
MW176.26 g/mol
LogP1.86
Rot. Bonds3

About 2-[(3-cyclopropylazetidin-1-yl)methyl]-1H-pyrrole

2-[(3-cyclopropylazetidin-1-yl)methyl]-1H-pyrrole (PubChem CID 131084634) has the molecular formula C11H16N2 and a molecular weight of 176.26 g/mol. Its IUPAC name is 2-[(3-cyclopropylazetidin-1-yl)methyl]-1H-pyrrole.

Molecular Properties

Compound Name2-[(3-cyclopropylazetidin-1-yl)methyl]-1H-pyrrole
PubChem CID131084634
Molecular FormulaC11H16N2
Molecular Weight176.26 g/mol
Exact Mass176.13
IUPAC Name2-[(3-cyclopropylazetidin-1-yl)methyl]-1H-pyrrole
SMILESc1c[nH]c(CN2CC(C3CC3)C2)c1
InChIInChI=1S/C11H16N2/c1-2-11(12-5-1)8-13-6-10(7-13)9-3-4-9/h1-2,5,9-10,12H,3-4,6-8H2
InChIKeyWYIMBRILFZTNFC-UHFFFAOYSA-N
XLogP1.86
TPSA19.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-[(3-cyclopropylazetidin-1-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-[(3-cyclopropylazetidin-1-yl)methyl]-1H-pyrrole?
The IUPAC name of 2-[(3-cyclopropylazetidin-1-yl)methyl]-1H-pyrrole (CID 131084634) is 2-[(3-cyclopropylazetidin-1-yl)methyl]-1H-pyrrole.
What is the SMILES notation for 2-[(3-cyclopropylazetidin-1-yl)methyl]-1H-pyrrole?
The canonical SMILES for 2-[(3-cyclopropylazetidin-1-yl)methyl]-1H-pyrrole is c1c[nH]c(CN2CC(C3CC3)C2)c1.
What is the InChIKey of 2-[(3-cyclopropylazetidin-1-yl)methyl]-1H-pyrrole?
The InChIKey is WYIMBRILFZTNFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2/c1-2-11(12-5-1)8-13-6-10(7-13)9-3-4-9/h1-2,5,9-10,12H,3-4,6-8H2.
What are the key properties of 2-[(3-cyclopropylazetidin-1-yl)methyl]-1H-pyrrole?
2-[(3-cyclopropylazetidin-1-yl)methyl]-1H-pyrrole has a molecular weight of 176.26 g/mol, XLogP of 1.86, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-cyclopropylazetidin-1-yl)methyl]-1H-pyrrole is sourced from PubChem (CID 131084634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).