oxan-2-one;pyridine

C10H13NO2 — CID 175461259

IUPACoxan-2-one;pyridine
SMILESO=C1CCCCO1.c1ccncc1
InChIInChI=1S/C5H5N.C5H8O2/c1-2-4-6-5-3-1;6-5-3-1-2-4-7-5/h1-5H;1-4H2
InChIKeyUYRDOJRRGMCKQT-UHFFFAOYSA-N
MW179.22 g/mol
LogP1.80
Rot. Bonds

About oxan-2-one;pyridine

oxan-2-one;pyridine (PubChem CID 175461259) has the molecular formula C10H13NO2 and a molecular weight of 179.22 g/mol. Its IUPAC name is oxan-2-one;pyridine.

Molecular Properties

Compound Nameoxan-2-one;pyridine
PubChem CID175461259
Molecular FormulaC10H13NO2
Molecular Weight179.22 g/mol
Exact Mass179.09
IUPAC Nameoxan-2-one;pyridine
SMILESO=C1CCCCO1.c1ccncc1
InChIInChI=1S/C5H5N.C5H8O2/c1-2-4-6-5-3-1;6-5-3-1-2-4-7-5/h1-5H;1-4H2
InChIKeyUYRDOJRRGMCKQT-UHFFFAOYSA-N
XLogP1.80
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

oxolan-2-one;pyrimidine
CID 159701872
1,6-dioxacyclotridecane-7,13-dione
CID 70450916
1,11-dioxacycloicosane-2,12-dione
CID 15642894
1,8-dioxacyclopentadecane-2,7-dione
CID 172688052
1,6-dioxacyclopentadecane-7,15-dione;1,6-dioxecane-2,5-dione
CID 175398471
oxolan-2-one;yttrium
CID 157257098
bis(1,6-dioxacyclododecane-7,12-dione);1,4-dioxecane-5,10-dione;ethene
CID 159713832
(213C)oxolan-2-one
CID 175700736
oxepan-2-one;phenylselanylbenzene
CID 175535328
1,8,17-trioxacyclopentacosane-2,7-dione
CID 150130718
formonitrile;oxepan-2-one
CID 174857419
(9Z)-1-oxacyclotetradec-9-en-2-one
CID 102124456

Frequently Asked Questions

What is the IUPAC name of oxan-2-one;pyridine?
The IUPAC name of oxan-2-one;pyridine (CID 175461259) is oxan-2-one;pyridine.
What is the SMILES notation for oxan-2-one;pyridine?
The canonical SMILES for oxan-2-one;pyridine is O=C1CCCCO1.c1ccncc1.
What is the InChIKey of oxan-2-one;pyridine?
The InChIKey is UYRDOJRRGMCKQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5N.C5H8O2/c1-2-4-6-5-3-1;6-5-3-1-2-4-7-5/h1-5H;1-4H2.
What are the key properties of oxan-2-one;pyridine?
oxan-2-one;pyridine has a molecular weight of 179.22 g/mol, XLogP of 1.80, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for oxan-2-one;pyridine is sourced from PubChem (CID 175461259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).