5-(1-phenylpropan-2-ylcarbamoyl)-1,2,3,4-tetrahydropyridin-6-olate

C15H19N2O2- — CID 134118671

IUPAC5-(1-phenylpropan-2-ylcarbamoyl)-1,2,3,4-tetrahydropyridin-6-olate
SMILESCC(Cc1ccccc1)NC(=O)C1=C([O-])NCCC1
InChIInChI=1S/C15H20N2O2/c1-11(10-12-6-3-2-4-7-12)17-15(19)13-8-5-9-16-14(13)18/h2-4,6-7,11,16,18H,5,8-10H2,1H3,(H,17,19)/p-1
InChIKeyGDYOEOJMONCKOA-UHFFFAOYSA-M
MW259.33 g/mol
LogP0.69
Rot. Bonds4

About 5-(1-phenylpropan-2-ylcarbamoyl)-1,2,3,4-tetrahydropyridin-6-olate

5-(1-phenylpropan-2-ylcarbamoyl)-1,2,3,4-tetrahydropyridin-6-olate (PubChem CID 134118671) has the molecular formula C15H19N2O2- and a molecular weight of 259.33 g/mol. Its IUPAC name is 5-(1-phenylpropan-2-ylcarbamoyl)-1,2,3,4-tetrahydropyridin-6-olate.

Molecular Properties

Compound Name5-(1-phenylpropan-2-ylcarbamoyl)-1,2,3,4-tetrahydropyridin-6-olate
PubChem CID134118671
Molecular FormulaC15H19N2O2-
Molecular Weight259.33 g/mol
Exact Mass259.15
IUPAC Name5-(1-phenylpropan-2-ylcarbamoyl)-1,2,3,4-tetrahydropyridin-6-olate
SMILESCC(Cc1ccccc1)NC(=O)C1=C([O-])NCCC1
InChIInChI=1S/C15H20N2O2/c1-11(10-12-6-3-2-4-7-12)17-15(19)13-8-5-9-16-14(13)18/h2-4,6-7,11,16,18H,5,8-10H2,1H3,(H,17,19)/p-1
InChIKeyGDYOEOJMONCKOA-UHFFFAOYSA-M
XLogP0.69
TPSA64.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(1-phenylpropan-2-ylcarbamoyl)-1,2,3,4-tetrahydropyridin-6-olate?
The IUPAC name of 5-(1-phenylpropan-2-ylcarbamoyl)-1,2,3,4-tetrahydropyridin-6-olate (CID 134118671) is 5-(1-phenylpropan-2-ylcarbamoyl)-1,2,3,4-tetrahydropyridin-6-olate.
What is the SMILES notation for 5-(1-phenylpropan-2-ylcarbamoyl)-1,2,3,4-tetrahydropyridin-6-olate?
The canonical SMILES for 5-(1-phenylpropan-2-ylcarbamoyl)-1,2,3,4-tetrahydropyridin-6-olate is CC(Cc1ccccc1)NC(=O)C1=C([O-])NCCC1.
What is the InChIKey of 5-(1-phenylpropan-2-ylcarbamoyl)-1,2,3,4-tetrahydropyridin-6-olate?
The InChIKey is GDYOEOJMONCKOA-UHFFFAOYSA-M. The full InChI is InChI=1S/C15H20N2O2/c1-11(10-12-6-3-2-4-7-12)17-15(19)13-8-5-9-16-14(13)18/h2-4,6-7,11,16,18H,5,8-10H2,1H3,(H,17,19)/p-1.
What are the key properties of 5-(1-phenylpropan-2-ylcarbamoyl)-1,2,3,4-tetrahydropyridin-6-olate?
5-(1-phenylpropan-2-ylcarbamoyl)-1,2,3,4-tetrahydropyridin-6-olate has a molecular weight of 259.33 g/mol, XLogP of 0.69, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-phenylpropan-2-ylcarbamoyl)-1,2,3,4-tetrahydropyridin-6-olate is sourced from PubChem (CID 134118671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).