3-pyridin-2-yldecan-4-one

C15H23NO — CID 151300777

IUPAC3-pyridin-2-yldecan-4-one
SMILESCCCCCCC(=O)C(CC)c1ccccn1
InChIInChI=1S/C15H23NO/c1-3-5-6-7-11-15(17)13(4-2)14-10-8-9-12-16-14/h8-10,12-13H,3-7,11H2,1-2H3
InChIKeyOCJLNRBHHCPVOS-UHFFFAOYSA-N
MW233.36 g/mol
LogP4.11
Rot. Bonds8

About 3-pyridin-2-yldecan-4-one

3-pyridin-2-yldecan-4-one (PubChem CID 151300777) has the molecular formula C15H23NO and a molecular weight of 233.36 g/mol. Its IUPAC name is 3-pyridin-2-yldecan-4-one.

Molecular Properties

Compound Name3-pyridin-2-yldecan-4-one
PubChem CID151300777
Molecular FormulaC15H23NO
Molecular Weight233.36 g/mol
Exact Mass233.18
IUPAC Name3-pyridin-2-yldecan-4-one
SMILESCCCCCCC(=O)C(CC)c1ccccn1
InChIInChI=1S/C15H23NO/c1-3-5-6-7-11-15(17)13(4-2)14-10-8-9-12-16-14/h8-10,12-13H,3-7,11H2,1-2H3
InChIKeyOCJLNRBHHCPVOS-UHFFFAOYSA-N
XLogP4.11
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-pyridin-2-yldecan-4-one?
The IUPAC name of 3-pyridin-2-yldecan-4-one (CID 151300777) is 3-pyridin-2-yldecan-4-one.
What is the SMILES notation for 3-pyridin-2-yldecan-4-one?
The canonical SMILES for 3-pyridin-2-yldecan-4-one is CCCCCCC(=O)C(CC)c1ccccn1.
What is the InChIKey of 3-pyridin-2-yldecan-4-one?
The InChIKey is OCJLNRBHHCPVOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-3-5-6-7-11-15(17)13(4-2)14-10-8-9-12-16-14/h8-10,12-13H,3-7,11H2,1-2H3.
What are the key properties of 3-pyridin-2-yldecan-4-one?
3-pyridin-2-yldecan-4-one has a molecular weight of 233.36 g/mol, XLogP of 4.11, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyridin-2-yldecan-4-one is sourced from PubChem (CID 151300777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).