N-prop-2-enoxy-N-prop-2-enylaniline

C12H15NO — CID 10877921

IUPACN-prop-2-enoxy-N-prop-2-enylaniline
SMILESC=CCON(CC=C)c1ccccc1
InChIInChI=1S/C12H15NO/c1-3-10-13(14-11-4-2)12-8-6-5-7-9-12/h3-9H,1-2,10-11H2
InChIKeyFOABWTJSAPWQQB-UHFFFAOYSA-N
MW189.26 g/mol
LogP2.80
Rot. Bonds6

About N-prop-2-enoxy-N-prop-2-enylaniline

N-prop-2-enoxy-N-prop-2-enylaniline (PubChem CID 10877921) has the molecular formula C12H15NO and a molecular weight of 189.26 g/mol. Its IUPAC name is N-prop-2-enoxy-N-prop-2-enylaniline.

Molecular Properties

Compound NameN-prop-2-enoxy-N-prop-2-enylaniline
PubChem CID10877921
Molecular FormulaC12H15NO
Molecular Weight189.26 g/mol
Exact Mass189.12
IUPAC NameN-prop-2-enoxy-N-prop-2-enylaniline
SMILESC=CCON(CC=C)c1ccccc1
InChIInChI=1S/C12H15NO/c1-3-10-13(14-11-4-2)12-8-6-5-7-9-12/h3-9H,1-2,10-11H2
InChIKeyFOABWTJSAPWQQB-UHFFFAOYSA-N
XLogP2.80
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 52.80
H-Bond Donors ≤ 50
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-prop-2-enoxy-N-prop-2-enylaniline?
The IUPAC name of N-prop-2-enoxy-N-prop-2-enylaniline (CID 10877921) is N-prop-2-enoxy-N-prop-2-enylaniline.
What is the SMILES notation for N-prop-2-enoxy-N-prop-2-enylaniline?
The canonical SMILES for N-prop-2-enoxy-N-prop-2-enylaniline is C=CCON(CC=C)c1ccccc1.
What is the InChIKey of N-prop-2-enoxy-N-prop-2-enylaniline?
The InChIKey is FOABWTJSAPWQQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO/c1-3-10-13(14-11-4-2)12-8-6-5-7-9-12/h3-9H,1-2,10-11H2.
What are the key properties of N-prop-2-enoxy-N-prop-2-enylaniline?
N-prop-2-enoxy-N-prop-2-enylaniline has a molecular weight of 189.26 g/mol, XLogP of 2.80, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-enoxy-N-prop-2-enylaniline is sourced from PubChem (CID 10877921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).