[(Z)-3-phenylprop-2-enyl] 6-oxo-1H-pyridine-3-carboxylate

C15H13NO3 — CID 94144590

IUPAC[(Z)-3-phenylprop-2-enyl] 6-oxo-1H-pyridine-3-carboxylate
SMILESO=C(OC/C=C\c1ccccc1)c1ccc(=O)[nH]c1
InChIInChI=1S/C15H13NO3/c17-14-9-8-13(11-16-14)15(18)19-10-4-7-12-5-2-1-3-6-12/h1-9,11H,10H2,(H,16,17)/b7-4-
InChIKeyBNFJEGAWCYTSDQ-DAXSKMNVSA-N
MW255.27 g/mol
LogP2.25
Rot. Bonds4

About [(Z)-3-phenylprop-2-enyl] 6-oxo-1H-pyridine-3-carboxylate

[(Z)-3-phenylprop-2-enyl] 6-oxo-1H-pyridine-3-carboxylate (PubChem CID 94144590) has the molecular formula C15H13NO3 and a molecular weight of 255.27 g/mol. Its IUPAC name is [(Z)-3-phenylprop-2-enyl] 6-oxo-1H-pyridine-3-carboxylate.

Molecular Properties

Compound Name[(Z)-3-phenylprop-2-enyl] 6-oxo-1H-pyridine-3-carboxylate
PubChem CID94144590
Molecular FormulaC15H13NO3
Molecular Weight255.27 g/mol
Exact Mass255.09
IUPAC Name[(Z)-3-phenylprop-2-enyl] 6-oxo-1H-pyridine-3-carboxylate
SMILESO=C(OC/C=C\c1ccccc1)c1ccc(=O)[nH]c1
InChIInChI=1S/C15H13NO3/c17-14-9-8-13(11-16-14)15(18)19-10-4-7-12-5-2-1-3-6-12/h1-9,11H,10H2,(H,16,17)/b7-4-
InChIKeyBNFJEGAWCYTSDQ-DAXSKMNVSA-N
XLogP2.25
TPSA59.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(Z)-3-phenylprop-2-enyl] 4-hydroxybenzoate
CID 97380584
3-phenylprop-2-enyl 4-formylbenzoate
CID 163212040
[(E)-3-phenylprop-2-enyl] 4-chlorobenzoate
CID 5372534
[(E)-3-phenylprop-2-enyl] 4-acetyl-1H-pyrrole-2-carboxylate
CID 9386000
3-phenylprop-2-enyl 3-hydroxybenzoate
CID 71953563
3-phenylprop-2-enyl 3-bromobenzoate
CID 4616313
[(E)-3-phenylprop-2-enyl] 1,3-benzodioxole-5-carboxylate
CID 8012668
3-phenylprop-2-enyl 4-(1,3-dithiolan-2-yl)benzoate
CID 78535520
[(E)-3-phenylprop-2-enyl] 4-(difluoromethylsulfonyl)benzoate
CID 7680002
bis[(E)-3-phenylprop-2-enyl] (Z)-but-2-enedioate
CID 70543374
[(E)-3-phenylprop-2-enyl] 2-methylbenzoate
CID 15365126
[(E)-3-phenylprop-2-enyl] 3-(2,5-dioxopyrrolidin-1-yl)benzoate
CID 7204640

Frequently Asked Questions

What is the IUPAC name of [(Z)-3-phenylprop-2-enyl] 6-oxo-1H-pyridine-3-carboxylate?
The IUPAC name of [(Z)-3-phenylprop-2-enyl] 6-oxo-1H-pyridine-3-carboxylate (CID 94144590) is [(Z)-3-phenylprop-2-enyl] 6-oxo-1H-pyridine-3-carboxylate.
What is the SMILES notation for [(Z)-3-phenylprop-2-enyl] 6-oxo-1H-pyridine-3-carboxylate?
The canonical SMILES for [(Z)-3-phenylprop-2-enyl] 6-oxo-1H-pyridine-3-carboxylate is O=C(OC/C=C\c1ccccc1)c1ccc(=O)[nH]c1.
What is the InChIKey of [(Z)-3-phenylprop-2-enyl] 6-oxo-1H-pyridine-3-carboxylate?
The InChIKey is BNFJEGAWCYTSDQ-DAXSKMNVSA-N. The full InChI is InChI=1S/C15H13NO3/c17-14-9-8-13(11-16-14)15(18)19-10-4-7-12-5-2-1-3-6-12/h1-9,11H,10H2,(H,16,17)/b7-4-.
What are the key properties of [(Z)-3-phenylprop-2-enyl] 6-oxo-1H-pyridine-3-carboxylate?
[(Z)-3-phenylprop-2-enyl] 6-oxo-1H-pyridine-3-carboxylate has a molecular weight of 255.27 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-3-phenylprop-2-enyl] 6-oxo-1H-pyridine-3-carboxylate is sourced from PubChem (CID 94144590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).