(E)-3-cyclopropyl-1-pyridin-4-ylprop-2-en-1-one

C11H11NO — CID 118355721

IUPAC(E)-3-cyclopropyl-1-pyridin-4-ylprop-2-en-1-one
SMILESO=C(/C=C/C1CC1)c1ccncc1
InChIInChI=1S/C11H11NO/c13-11(4-3-9-1-2-9)10-5-7-12-8-6-10/h3-9H,1-2H2/b4-3+
InChIKeyAMMFGOUBJJUCMW-ONEGZZNKSA-N
MW173.22 g/mol
LogP2.23
Rot. Bonds3

About (E)-3-cyclopropyl-1-pyridin-4-ylprop-2-en-1-one

(E)-3-cyclopropyl-1-pyridin-4-ylprop-2-en-1-one (PubChem CID 118355721) has the molecular formula C11H11NO and a molecular weight of 173.22 g/mol. Its IUPAC name is (E)-3-cyclopropyl-1-pyridin-4-ylprop-2-en-1-one.

Molecular Properties

Compound Name(E)-3-cyclopropyl-1-pyridin-4-ylprop-2-en-1-one
PubChem CID118355721
Molecular FormulaC11H11NO
Molecular Weight173.22 g/mol
Exact Mass173.08
IUPAC Name(E)-3-cyclopropyl-1-pyridin-4-ylprop-2-en-1-one
SMILESO=C(/C=C/C1CC1)c1ccncc1
InChIInChI=1S/C11H11NO/c13-11(4-3-9-1-2-9)10-5-7-12-8-6-10/h3-9H,1-2H2/b4-3+
InChIKeyAMMFGOUBJJUCMW-ONEGZZNKSA-N
XLogP2.23
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.22
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-3-cyclopropyl-1-pyridin-4-ylprop-2-en-1-one?
The IUPAC name of (E)-3-cyclopropyl-1-pyridin-4-ylprop-2-en-1-one (CID 118355721) is (E)-3-cyclopropyl-1-pyridin-4-ylprop-2-en-1-one.
What is the SMILES notation for (E)-3-cyclopropyl-1-pyridin-4-ylprop-2-en-1-one?
The canonical SMILES for (E)-3-cyclopropyl-1-pyridin-4-ylprop-2-en-1-one is O=C(/C=C/C1CC1)c1ccncc1.
What is the InChIKey of (E)-3-cyclopropyl-1-pyridin-4-ylprop-2-en-1-one?
The InChIKey is AMMFGOUBJJUCMW-ONEGZZNKSA-N. The full InChI is InChI=1S/C11H11NO/c13-11(4-3-9-1-2-9)10-5-7-12-8-6-10/h3-9H,1-2H2/b4-3+.
What are the key properties of (E)-3-cyclopropyl-1-pyridin-4-ylprop-2-en-1-one?
(E)-3-cyclopropyl-1-pyridin-4-ylprop-2-en-1-one has a molecular weight of 173.22 g/mol, XLogP of 2.23, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-cyclopropyl-1-pyridin-4-ylprop-2-en-1-one is sourced from PubChem (CID 118355721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).