N-but-3-en-2-yloxyaniline

C10H13NO — CID 12032614

IUPACN-but-3-en-2-yloxyaniline
SMILESC=CC(C)ONc1ccccc1
InChIInChI=1S/C10H13NO/c1-3-9(2)12-11-10-7-5-4-6-8-10/h3-9,11H,1H2,2H3
InChIKeyRLGLHTUYYSWFKW-UHFFFAOYSA-N
MW163.22 g/mol
LogP2.60
Rot. Bonds4

About N-but-3-en-2-yloxyaniline

N-but-3-en-2-yloxyaniline (PubChem CID 12032614) has the molecular formula C10H13NO and a molecular weight of 163.22 g/mol. Its IUPAC name is N-but-3-en-2-yloxyaniline.

Molecular Properties

Compound NameN-but-3-en-2-yloxyaniline
PubChem CID12032614
Molecular FormulaC10H13NO
Molecular Weight163.22 g/mol
Exact Mass163.10
IUPAC NameN-but-3-en-2-yloxyaniline
SMILESC=CC(C)ONc1ccccc1
InChIInChI=1S/C10H13NO/c1-3-9(2)12-11-10-7-5-4-6-8-10/h3-9,11H,1H2,2H3
InChIKeyRLGLHTUYYSWFKW-UHFFFAOYSA-N
XLogP2.60
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-but-3-en-2-yloxyaniline?
The IUPAC name of N-but-3-en-2-yloxyaniline (CID 12032614) is N-but-3-en-2-yloxyaniline.
What is the SMILES notation for N-but-3-en-2-yloxyaniline?
The canonical SMILES for N-but-3-en-2-yloxyaniline is C=CC(C)ONc1ccccc1.
What is the InChIKey of N-but-3-en-2-yloxyaniline?
The InChIKey is RLGLHTUYYSWFKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO/c1-3-9(2)12-11-10-7-5-4-6-8-10/h3-9,11H,1H2,2H3.
What are the key properties of N-but-3-en-2-yloxyaniline?
N-but-3-en-2-yloxyaniline has a molecular weight of 163.22 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-3-en-2-yloxyaniline is sourced from PubChem (CID 12032614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).