6-pyridin-3-yl-3,4-dihydro-1H-naphthalen-2-one

C15H13NO — CID 25180108

IUPAC6-pyridin-3-yl-3,4-dihydro-1H-naphthalen-2-one
SMILESO=C1CCc2cc(-c3cccnc3)ccc2C1
InChIInChI=1S/C15H13NO/c17-15-6-5-11-8-12(3-4-13(11)9-15)14-2-1-7-16-10-14/h1-4,7-8,10H,5-6,9H2
InChIKeyXMIVJNDWTQQRAQ-UHFFFAOYSA-N
MW223.28 g/mol
LogP2.81
Rot. Bonds1

About 6-pyridin-3-yl-3,4-dihydro-1H-naphthalen-2-one

6-pyridin-3-yl-3,4-dihydro-1H-naphthalen-2-one (PubChem CID 25180108) has the molecular formula C15H13NO and a molecular weight of 223.28 g/mol. Its IUPAC name is 6-pyridin-3-yl-3,4-dihydro-1H-naphthalen-2-one.

Molecular Properties

Compound Name6-pyridin-3-yl-3,4-dihydro-1H-naphthalen-2-one
PubChem CID25180108
Molecular FormulaC15H13NO
Molecular Weight223.28 g/mol
Exact Mass223.10
IUPAC Name6-pyridin-3-yl-3,4-dihydro-1H-naphthalen-2-one
SMILESO=C1CCc2cc(-c3cccnc3)ccc2C1
InChIInChI=1S/C15H13NO/c17-15-6-5-11-8-12(3-4-13(11)9-15)14-2-1-7-16-10-14/h1-4,7-8,10H,5-6,9H2
InChIKeyXMIVJNDWTQQRAQ-UHFFFAOYSA-N
XLogP2.81
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 6-pyridin-3-yl-3,4-dihydro-1H-naphthalen-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-pyridin-3-yl-3,4-dihydro-1H-naphthalen-2-one?
The IUPAC name of 6-pyridin-3-yl-3,4-dihydro-1H-naphthalen-2-one (CID 25180108) is 6-pyridin-3-yl-3,4-dihydro-1H-naphthalen-2-one.
What is the SMILES notation for 6-pyridin-3-yl-3,4-dihydro-1H-naphthalen-2-one?
The canonical SMILES for 6-pyridin-3-yl-3,4-dihydro-1H-naphthalen-2-one is O=C1CCc2cc(-c3cccnc3)ccc2C1.
What is the InChIKey of 6-pyridin-3-yl-3,4-dihydro-1H-naphthalen-2-one?
The InChIKey is XMIVJNDWTQQRAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO/c17-15-6-5-11-8-12(3-4-13(11)9-15)14-2-1-7-16-10-14/h1-4,7-8,10H,5-6,9H2.
What are the key properties of 6-pyridin-3-yl-3,4-dihydro-1H-naphthalen-2-one?
6-pyridin-3-yl-3,4-dihydro-1H-naphthalen-2-one has a molecular weight of 223.28 g/mol, XLogP of 2.81, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-pyridin-3-yl-3,4-dihydro-1H-naphthalen-2-one is sourced from PubChem (CID 25180108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).