N-prop-2-enoxyaniline

C9H11NO — CID 12032613

IUPACN-prop-2-enoxyaniline
SMILESC=CCONc1ccccc1
InChIInChI=1S/C9H11NO/c1-2-8-11-10-9-6-4-3-5-7-9/h2-7,10H,1,8H2
InChIKeyGBQVUTJPMFWINU-UHFFFAOYSA-N
MW149.19 g/mol
LogP2.22
Rot. Bonds4

About N-prop-2-enoxyaniline

N-prop-2-enoxyaniline (PubChem CID 12032613) has the molecular formula C9H11NO and a molecular weight of 149.19 g/mol. Its IUPAC name is N-prop-2-enoxyaniline.

Molecular Properties

Compound NameN-prop-2-enoxyaniline
PubChem CID12032613
Molecular FormulaC9H11NO
Molecular Weight149.19 g/mol
Exact Mass149.08
IUPAC NameN-prop-2-enoxyaniline
SMILESC=CCONc1ccccc1
InChIInChI=1S/C9H11NO/c1-2-8-11-10-9-6-4-3-5-7-9/h2-7,10H,1,8H2
InChIKeyGBQVUTJPMFWINU-UHFFFAOYSA-N
XLogP2.22
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.19
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-prop-2-enoxyaniline?
The IUPAC name of N-prop-2-enoxyaniline (CID 12032613) is N-prop-2-enoxyaniline.
What is the SMILES notation for N-prop-2-enoxyaniline?
The canonical SMILES for N-prop-2-enoxyaniline is C=CCONc1ccccc1.
What is the InChIKey of N-prop-2-enoxyaniline?
The InChIKey is GBQVUTJPMFWINU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO/c1-2-8-11-10-9-6-4-3-5-7-9/h2-7,10H,1,8H2.
What are the key properties of N-prop-2-enoxyaniline?
N-prop-2-enoxyaniline has a molecular weight of 149.19 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-enoxyaniline is sourced from PubChem (CID 12032613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).