2-prop-2-enoxyaniline

C9H11NO — CID 6486639

IUPAC2-prop-2-enoxyaniline
SMILESC=CCOc1ccccc1N
InChIInChI=1S/C9H11NO/c1-2-7-11-9-6-4-3-5-8(9)10/h2-6H,1,7,10H2
InChIKeyVPZRVYLJWAJQRE-UHFFFAOYSA-N
MW149.19 g/mol
LogP1.83
Rot. Bonds3

About 2-prop-2-enoxyaniline

2-prop-2-enoxyaniline (PubChem CID 6486639) has the molecular formula C9H11NO and a molecular weight of 149.19 g/mol. Its IUPAC name is 2-prop-2-enoxyaniline.

Molecular Properties

Compound Name2-prop-2-enoxyaniline
PubChem CID6486639
Molecular FormulaC9H11NO
Molecular Weight149.19 g/mol
Exact Mass149.08
IUPAC Name2-prop-2-enoxyaniline
SMILESC=CCOc1ccccc1N
InChIInChI=1S/C9H11NO/c1-2-7-11-9-6-4-3-5-8(9)10/h2-6H,1,7,10H2
InChIKeyVPZRVYLJWAJQRE-UHFFFAOYSA-N
XLogP1.83
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.19
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-prop-2-enoxyaniline?
The IUPAC name of 2-prop-2-enoxyaniline (CID 6486639) is 2-prop-2-enoxyaniline.
What is the SMILES notation for 2-prop-2-enoxyaniline?
The canonical SMILES for 2-prop-2-enoxyaniline is C=CCOc1ccccc1N.
What is the InChIKey of 2-prop-2-enoxyaniline?
The InChIKey is VPZRVYLJWAJQRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO/c1-2-7-11-9-6-4-3-5-8(9)10/h2-6H,1,7,10H2.
What are the key properties of 2-prop-2-enoxyaniline?
2-prop-2-enoxyaniline has a molecular weight of 149.19 g/mol, XLogP of 1.83, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-prop-2-enoxyaniline is sourced from PubChem (CID 6486639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).