5-chloro-1-[(4-propylphenyl)methyl]pyridin-2-one

C15H16ClNO — CID 130178574

IUPAC5-chloro-1-[(4-propylphenyl)methyl]pyridin-2-one
SMILESCCCc1ccc(Cn2cc(Cl)ccc2=O)cc1
InChIInChI=1S/C15H16ClNO/c1-2-3-12-4-6-13(7-5-12)10-17-11-14(16)8-9-15(17)18/h4-9,11H,2-3,10H2,1H3
InChIKeySIYHTJMRUPAJAQ-UHFFFAOYSA-N
MW261.75 g/mol
LogP3.50
Rot. Bonds4

About 5-chloro-1-[(4-propylphenyl)methyl]pyridin-2-one

5-chloro-1-[(4-propylphenyl)methyl]pyridin-2-one (PubChem CID 130178574) has the molecular formula C15H16ClNO and a molecular weight of 261.75 g/mol. Its IUPAC name is 5-chloro-1-[(4-propylphenyl)methyl]pyridin-2-one.

Molecular Properties

Compound Name5-chloro-1-[(4-propylphenyl)methyl]pyridin-2-one
PubChem CID130178574
Molecular FormulaC15H16ClNO
Molecular Weight261.75 g/mol
Exact Mass261.09
IUPAC Name5-chloro-1-[(4-propylphenyl)methyl]pyridin-2-one
SMILESCCCc1ccc(Cn2cc(Cl)ccc2=O)cc1
InChIInChI=1S/C15H16ClNO/c1-2-3-12-4-6-13(7-5-12)10-17-11-14(16)8-9-15(17)18/h4-9,11H,2-3,10H2,1H3
InChIKeySIYHTJMRUPAJAQ-UHFFFAOYSA-N
XLogP3.50
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.75
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-[(4-propylphenyl)methyl]pyridin-2-one?
The IUPAC name of 5-chloro-1-[(4-propylphenyl)methyl]pyridin-2-one (CID 130178574) is 5-chloro-1-[(4-propylphenyl)methyl]pyridin-2-one.
What is the SMILES notation for 5-chloro-1-[(4-propylphenyl)methyl]pyridin-2-one?
The canonical SMILES for 5-chloro-1-[(4-propylphenyl)methyl]pyridin-2-one is CCCc1ccc(Cn2cc(Cl)ccc2=O)cc1.
What is the InChIKey of 5-chloro-1-[(4-propylphenyl)methyl]pyridin-2-one?
The InChIKey is SIYHTJMRUPAJAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO/c1-2-3-12-4-6-13(7-5-12)10-17-11-14(16)8-9-15(17)18/h4-9,11H,2-3,10H2,1H3.
What are the key properties of 5-chloro-1-[(4-propylphenyl)methyl]pyridin-2-one?
5-chloro-1-[(4-propylphenyl)methyl]pyridin-2-one has a molecular weight of 261.75 g/mol, XLogP of 3.50, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-[(4-propylphenyl)methyl]pyridin-2-one is sourced from PubChem (CID 130178574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).