(E)-3-(N-methylanilino)prop-2-enal

C10H11NO — CID 11194497

IUPAC(E)-3-(N-methylanilino)prop-2-enal
SMILESCN(/C=C/C=O)c1ccccc1
InChIInChI=1S/C10H11NO/c1-11(8-5-9-12)10-6-3-2-4-7-10/h2-9H,1H3/b8-5+
InChIKeyYLMOTKLYENPQLK-VMPITWQZSA-N
MW161.20 g/mol
LogP1.84
Rot. Bonds3

About (E)-3-(N-methylanilino)prop-2-enal

(E)-3-(N-methylanilino)prop-2-enal (PubChem CID 11194497) has the molecular formula C10H11NO and a molecular weight of 161.20 g/mol. Its IUPAC name is (E)-3-(N-methylanilino)prop-2-enal.

Molecular Properties

Compound Name(E)-3-(N-methylanilino)prop-2-enal
PubChem CID11194497
Molecular FormulaC10H11NO
Molecular Weight161.20 g/mol
Exact Mass161.08
IUPAC Name(E)-3-(N-methylanilino)prop-2-enal
SMILESCN(/C=C/C=O)c1ccccc1
InChIInChI=1S/C10H11NO/c1-11(8-5-9-12)10-6-3-2-4-7-10/h2-9H,1H3/b8-5+
InChIKeyYLMOTKLYENPQLK-VMPITWQZSA-N
XLogP1.84
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.20
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-3-(N-methylanilino)prop-2-enal?
The IUPAC name of (E)-3-(N-methylanilino)prop-2-enal (CID 11194497) is (E)-3-(N-methylanilino)prop-2-enal.
What is the SMILES notation for (E)-3-(N-methylanilino)prop-2-enal?
The canonical SMILES for (E)-3-(N-methylanilino)prop-2-enal is CN(/C=C/C=O)c1ccccc1.
What is the InChIKey of (E)-3-(N-methylanilino)prop-2-enal?
The InChIKey is YLMOTKLYENPQLK-VMPITWQZSA-N. The full InChI is InChI=1S/C10H11NO/c1-11(8-5-9-12)10-6-3-2-4-7-10/h2-9H,1H3/b8-5+.
What are the key properties of (E)-3-(N-methylanilino)prop-2-enal?
(E)-3-(N-methylanilino)prop-2-enal has a molecular weight of 161.20 g/mol, XLogP of 1.84, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(N-methylanilino)prop-2-enal is sourced from PubChem (CID 11194497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).