3-(oxolan-3-yl)aniline

C10H13NO — CID 66521316

IUPAC3-(oxolan-3-yl)aniline
SMILESNc1cccc(C2CCOC2)c1
InChIInChI=1S/C10H13NO/c11-10-3-1-2-8(6-10)9-4-5-12-7-9/h1-3,6,9H,4-5,7,11H2
InChIKeyOJUSSNPWOSCGKM-UHFFFAOYSA-N
MW163.22 g/mol
LogP1.77
Rot. Bonds1

About 3-(oxolan-3-yl)aniline

3-(oxolan-3-yl)aniline (PubChem CID 66521316) has the molecular formula C10H13NO and a molecular weight of 163.22 g/mol. Its IUPAC name is 3-(oxolan-3-yl)aniline.

Molecular Properties

Compound Name3-(oxolan-3-yl)aniline
PubChem CID66521316
Molecular FormulaC10H13NO
Molecular Weight163.22 g/mol
Exact Mass163.10
IUPAC Name3-(oxolan-3-yl)aniline
SMILESNc1cccc(C2CCOC2)c1
InChIInChI=1S/C10H13NO/c11-10-3-1-2-8(6-10)9-4-5-12-7-9/h1-3,6,9H,4-5,7,11H2
InChIKeyOJUSSNPWOSCGKM-UHFFFAOYSA-N
XLogP1.77
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-(oxolan-3-yl)aniline 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 3-(oxolan-3-yl)aniline?
The IUPAC name of 3-(oxolan-3-yl)aniline (CID 66521316) is 3-(oxolan-3-yl)aniline.
What is the SMILES notation for 3-(oxolan-3-yl)aniline?
The canonical SMILES for 3-(oxolan-3-yl)aniline is Nc1cccc(C2CCOC2)c1.
What is the InChIKey of 3-(oxolan-3-yl)aniline?
The InChIKey is OJUSSNPWOSCGKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO/c11-10-3-1-2-8(6-10)9-4-5-12-7-9/h1-3,6,9H,4-5,7,11H2.
What are the key properties of 3-(oxolan-3-yl)aniline?
3-(oxolan-3-yl)aniline has a molecular weight of 163.22 g/mol, XLogP of 1.77, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxolan-3-yl)aniline is sourced from PubChem (CID 66521316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).