2-[(2-ethylazetidin-1-yl)methyl]-1H-pyrrole

C10H16N2 — CID 131107803

IUPAC2-[(2-ethylazetidin-1-yl)methyl]-1H-pyrrole
SMILESCCC1CCN1Cc1ccc[nH]1
InChIInChI=1S/C10H16N2/c1-2-10-5-7-12(10)8-9-4-3-6-11-9/h3-4,6,10-11H,2,5,7-8H2,1H3
InChIKeyWTEXQABZYKNXHN-UHFFFAOYSA-N
MW164.25 g/mol
LogP2.00
Rot. Bonds3

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

2-[(2-ethylazetidin-1-yl)methyl]-1H-pyrrole (PubChem CID 131107803) has the molecular formula C10H16N2 and a molecular weight of 164.25 g/mol. Its IUPAC name is 2-[(2-ethylazetidin-1-yl)methyl]-1H-pyrrole.

Molecular Properties

Compound Name2-[(2-ethylazetidin-1-yl)methyl]-1H-pyrrole
PubChem CID131107803
Molecular FormulaC10H16N2
Molecular Weight164.25 g/mol
Exact Mass164.13
IUPAC Name2-[(2-ethylazetidin-1-yl)methyl]-1H-pyrrole
SMILESCCC1CCN1Cc1ccc[nH]1
InChIInChI=1S/C10H16N2/c1-2-10-5-7-12(10)8-9-4-3-6-11-9/h3-4,6,10-11H,2,5,7-8H2,1H3
InChIKeyWTEXQABZYKNXHN-UHFFFAOYSA-N
XLogP2.00
TPSA19.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-ethylazetidin-1-yl)methyl]-1H-pyrrole?
The IUPAC name of 2-[(2-ethylazetidin-1-yl)methyl]-1H-pyrrole (CID 131107803) is 2-[(2-ethylazetidin-1-yl)methyl]-1H-pyrrole.
What is the SMILES notation for 2-[(2-ethylazetidin-1-yl)methyl]-1H-pyrrole?
The canonical SMILES for 2-[(2-ethylazetidin-1-yl)methyl]-1H-pyrrole is CCC1CCN1Cc1ccc[nH]1.
What is the InChIKey of 2-[(2-ethylazetidin-1-yl)methyl]-1H-pyrrole?
The InChIKey is WTEXQABZYKNXHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2/c1-2-10-5-7-12(10)8-9-4-3-6-11-9/h3-4,6,10-11H,2,5,7-8H2,1H3.
What are the key properties of 2-[(2-ethylazetidin-1-yl)methyl]-1H-pyrrole?
2-[(2-ethylazetidin-1-yl)methyl]-1H-pyrrole has a molecular weight of 164.25 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-ethylazetidin-1-yl)methyl]-1H-pyrrole is sourced from PubChem (CID 131107803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).