2-pyrrolidin-1-ylaniline

C10H14N2 — CID 937501

IUPAC2-pyrrolidin-1-ylaniline
SMILESNc1ccccc1N1CCCC1
InChIInChI=1S/C10H14N2/c11-9-5-1-2-6-10(9)12-7-3-4-8-12/h1-2,5-6H,3-4,7-8,11H2
InChIKeyBFPUBGCFJMIZDF-UHFFFAOYSA-N
MW162.24 g/mol
LogP1.87
Rot. Bonds1

About 2-pyrrolidin-1-ylaniline

2-pyrrolidin-1-ylaniline (PubChem CID 937501) has the molecular formula C10H14N2 and a molecular weight of 162.24 g/mol. Its IUPAC name is 2-pyrrolidin-1-ylaniline.

Molecular Properties

Compound Name2-pyrrolidin-1-ylaniline
PubChem CID937501
Molecular FormulaC10H14N2
Molecular Weight162.24 g/mol
Exact Mass162.12
IUPAC Name2-pyrrolidin-1-ylaniline
SMILESNc1ccccc1N1CCCC1
InChIInChI=1S/C10H14N2/c11-9-5-1-2-6-10(9)12-7-3-4-8-12/h1-2,5-6H,3-4,7-8,11H2
InChIKeyBFPUBGCFJMIZDF-UHFFFAOYSA-N
XLogP1.87
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.24
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-pyrrolidin-1-ylaniline?
The IUPAC name of 2-pyrrolidin-1-ylaniline (CID 937501) is 2-pyrrolidin-1-ylaniline.
What is the SMILES notation for 2-pyrrolidin-1-ylaniline?
The canonical SMILES for 2-pyrrolidin-1-ylaniline is Nc1ccccc1N1CCCC1.
What is the InChIKey of 2-pyrrolidin-1-ylaniline?
The InChIKey is BFPUBGCFJMIZDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2/c11-9-5-1-2-6-10(9)12-7-3-4-8-12/h1-2,5-6H,3-4,7-8,11H2.
What are the key properties of 2-pyrrolidin-1-ylaniline?
2-pyrrolidin-1-ylaniline has a molecular weight of 162.24 g/mol, XLogP of 1.87, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrrolidin-1-ylaniline is sourced from PubChem (CID 937501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).