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

C11H11NO — CID 19558824

IUPAC(E)-1-cyclopropyl-3-pyridin-3-ylprop-2-en-1-one
SMILESO=C(/C=C/c1cccnc1)C1CC1
InChIInChI=1S/C11H11NO/c13-11(10-4-5-10)6-3-9-2-1-7-12-8-9/h1-3,6-8,10H,4-5H2/b6-3+
InChIKeyZPYXCCUGSTUREM-ZZXKWVIFSA-N
MW173.22 g/mol
LogP2.07
Rot. Bonds3

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

(E)-1-cyclopropyl-3-pyridin-3-ylprop-2-en-1-one (PubChem CID 19558824) has the molecular formula C11H11NO and a molecular weight of 173.22 g/mol. Its IUPAC name is (E)-1-cyclopropyl-3-pyridin-3-ylprop-2-en-1-one.

Molecular Properties

Compound Name(E)-1-cyclopropyl-3-pyridin-3-ylprop-2-en-1-one
PubChem CID19558824
Molecular FormulaC11H11NO
Molecular Weight173.22 g/mol
Exact Mass173.08
IUPAC Name(E)-1-cyclopropyl-3-pyridin-3-ylprop-2-en-1-one
SMILESO=C(/C=C/c1cccnc1)C1CC1
InChIInChI=1S/C11H11NO/c13-11(10-4-5-10)6-3-9-2-1-7-12-8-9/h1-3,6-8,10H,4-5H2/b6-3+
InChIKeyZPYXCCUGSTUREM-ZZXKWVIFSA-N
XLogP2.07
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 ≤ 52.07
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)-1-cyclopropyl-3-pyridin-3-ylprop-2-en-1-one?
The IUPAC name of (E)-1-cyclopropyl-3-pyridin-3-ylprop-2-en-1-one (CID 19558824) is (E)-1-cyclopropyl-3-pyridin-3-ylprop-2-en-1-one.
What is the SMILES notation for (E)-1-cyclopropyl-3-pyridin-3-ylprop-2-en-1-one?
The canonical SMILES for (E)-1-cyclopropyl-3-pyridin-3-ylprop-2-en-1-one is O=C(/C=C/c1cccnc1)C1CC1.
What is the InChIKey of (E)-1-cyclopropyl-3-pyridin-3-ylprop-2-en-1-one?
The InChIKey is ZPYXCCUGSTUREM-ZZXKWVIFSA-N. The full InChI is InChI=1S/C11H11NO/c13-11(10-4-5-10)6-3-9-2-1-7-12-8-9/h1-3,6-8,10H,4-5H2/b6-3+.
What are the key properties of (E)-1-cyclopropyl-3-pyridin-3-ylprop-2-en-1-one?
(E)-1-cyclopropyl-3-pyridin-3-ylprop-2-en-1-one has a molecular weight of 173.22 g/mol, XLogP of 2.07, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-cyclopropyl-3-pyridin-3-ylprop-2-en-1-one is sourced from PubChem (CID 19558824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).