(2Z)-2-(1-benzyl-2-pyridinylidene)-1-phenylethanone

C20H17NO — CID 135051409

IUPAC(2Z)-2-(1-benzyl-2-pyridinylidene)-1-phenylethanone
SMILESO=C(/C=C1/C=CC=CN1Cc1ccccc1)c1ccccc1
InChIInChI=1S/C20H17NO/c22-20(18-11-5-2-6-12-18)15-19-13-7-8-14-21(19)16-17-9-3-1-4-10-17/h1-15H,16H2/b19-15-
InChIKeyCDRUXGHYKQGTPO-CYVLTUHYSA-N
MW287.36 g/mol
LogP4.34
Rot. Bonds4

About (2Z)-2-(1-benzyl-2-pyridinylidene)-1-phenylethanone

(2Z)-2-(1-benzyl-2-pyridinylidene)-1-phenylethanone (PubChem CID 135051409) has the molecular formula C20H17NO and a molecular weight of 287.36 g/mol. Its IUPAC name is (2Z)-2-(1-benzyl-2-pyridinylidene)-1-phenylethanone.

Molecular Properties

Compound Name(2Z)-2-(1-benzyl-2-pyridinylidene)-1-phenylethanone
PubChem CID135051409
Molecular FormulaC20H17NO
Molecular Weight287.36 g/mol
Exact Mass287.13
IUPAC Name(2Z)-2-(1-benzyl-2-pyridinylidene)-1-phenylethanone
SMILESO=C(/C=C1/C=CC=CN1Cc1ccccc1)c1ccccc1
InChIInChI=1S/C20H17NO/c22-20(18-11-5-2-6-12-18)15-19-13-7-8-14-21(19)16-17-9-3-1-4-10-17/h1-15H,16H2/b19-15-
InChIKeyCDRUXGHYKQGTPO-CYVLTUHYSA-N
XLogP4.34
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 54.34
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 (2Z)-2-(1-benzyl-2-pyridinylidene)-1-phenylethanone?
The IUPAC name of (2Z)-2-(1-benzyl-2-pyridinylidene)-1-phenylethanone (CID 135051409) is (2Z)-2-(1-benzyl-2-pyridinylidene)-1-phenylethanone.
What is the SMILES notation for (2Z)-2-(1-benzyl-2-pyridinylidene)-1-phenylethanone?
The canonical SMILES for (2Z)-2-(1-benzyl-2-pyridinylidene)-1-phenylethanone is O=C(/C=C1/C=CC=CN1Cc1ccccc1)c1ccccc1.
What is the InChIKey of (2Z)-2-(1-benzyl-2-pyridinylidene)-1-phenylethanone?
The InChIKey is CDRUXGHYKQGTPO-CYVLTUHYSA-N. The full InChI is InChI=1S/C20H17NO/c22-20(18-11-5-2-6-12-18)15-19-13-7-8-14-21(19)16-17-9-3-1-4-10-17/h1-15H,16H2/b19-15-.
What are the key properties of (2Z)-2-(1-benzyl-2-pyridinylidene)-1-phenylethanone?
(2Z)-2-(1-benzyl-2-pyridinylidene)-1-phenylethanone has a molecular weight of 287.36 g/mol, XLogP of 4.34, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-(1-benzyl-2-pyridinylidene)-1-phenylethanone is sourced from PubChem (CID 135051409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).