3,4-dihydro-2H-pyran-5-yl-(5-methyl-3-pyridinyl)methanone

C12H13NO2 — CID 105127434

IUPAC3,4-dihydro-2H-pyran-5-yl-(5-methyl-3-pyridinyl)methanone
SMILESCc1cncc(C(=O)C2=COCCC2)c1
InChIInChI=1S/C12H13NO2/c1-9-5-11(7-13-6-9)12(14)10-3-2-4-15-8-10/h5-8H,2-4H2,1H3
InChIKeyAXAQDGAGQNGHSK-UHFFFAOYSA-N
MW203.24 g/mol
LogP2.27
Rot. Bonds2

About 3,4-dihydro-2H-pyran-5-yl-(5-methyl-3-pyridinyl)methanone

3,4-dihydro-2H-pyran-5-yl-(5-methyl-3-pyridinyl)methanone (PubChem CID 105127434) has the molecular formula C12H13NO2 and a molecular weight of 203.24 g/mol. Its IUPAC name is 3,4-dihydro-2H-pyran-5-yl-(5-methyl-3-pyridinyl)methanone.

Molecular Properties

Compound Name3,4-dihydro-2H-pyran-5-yl-(5-methyl-3-pyridinyl)methanone
PubChem CID105127434
Molecular FormulaC12H13NO2
Molecular Weight203.24 g/mol
Exact Mass203.09
IUPAC Name3,4-dihydro-2H-pyran-5-yl-(5-methyl-3-pyridinyl)methanone
SMILESCc1cncc(C(=O)C2=COCCC2)c1
InChIInChI=1S/C12H13NO2/c1-9-5-11(7-13-6-9)12(14)10-3-2-4-15-8-10/h5-8H,2-4H2,1H3
InChIKeyAXAQDGAGQNGHSK-UHFFFAOYSA-N
XLogP2.27
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-pyran-5-yl-(5-methyl-3-pyridinyl)methanone?
The IUPAC name of 3,4-dihydro-2H-pyran-5-yl-(5-methyl-3-pyridinyl)methanone (CID 105127434) is 3,4-dihydro-2H-pyran-5-yl-(5-methyl-3-pyridinyl)methanone.
What is the SMILES notation for 3,4-dihydro-2H-pyran-5-yl-(5-methyl-3-pyridinyl)methanone?
The canonical SMILES for 3,4-dihydro-2H-pyran-5-yl-(5-methyl-3-pyridinyl)methanone is Cc1cncc(C(=O)C2=COCCC2)c1.
What is the InChIKey of 3,4-dihydro-2H-pyran-5-yl-(5-methyl-3-pyridinyl)methanone?
The InChIKey is AXAQDGAGQNGHSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO2/c1-9-5-11(7-13-6-9)12(14)10-3-2-4-15-8-10/h5-8H,2-4H2,1H3.
What are the key properties of 3,4-dihydro-2H-pyran-5-yl-(5-methyl-3-pyridinyl)methanone?
3,4-dihydro-2H-pyran-5-yl-(5-methyl-3-pyridinyl)methanone has a molecular weight of 203.24 g/mol, XLogP of 2.27, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-pyran-5-yl-(5-methyl-3-pyridinyl)methanone is sourced from PubChem (CID 105127434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).