ethane;methanol;1-[5-(methoxymethyl)oxolan-2-yl]pyridin-4-one

C14H25NO4 — CID 156851339

IUPACethane;methanol;1-[5-(methoxymethyl)oxolan-2-yl]pyridin-4-one
SMILESCC.CO.COCC1CCC(n2ccc(=O)cc2)O1
InChIInChI=1S/C11H15NO3.C2H6.CH4O/c1-14-8-10-2-3-11(15-10)12-6-4-9(13)5-7-12;2*1-2/h4-7,10-11H,2-3,8H2,1H3;1-2H3;2H,1H3
InChIKeyMURROHIAMLLZOE-UHFFFAOYSA-N
MW271.36 g/mol
LogP1.81
Rot. Bonds3

About ethane;methanol;1-[5-(methoxymethyl)oxolan-2-yl]pyridin-4-one

ethane;methanol;1-[5-(methoxymethyl)oxolan-2-yl]pyridin-4-one (PubChem CID 156851339) has the molecular formula C14H25NO4 and a molecular weight of 271.36 g/mol. Its IUPAC name is ethane;methanol;1-[5-(methoxymethyl)oxolan-2-yl]pyridin-4-one.

Molecular Properties

Compound Nameethane;methanol;1-[5-(methoxymethyl)oxolan-2-yl]pyridin-4-one
PubChem CID156851339
Molecular FormulaC14H25NO4
Molecular Weight271.36 g/mol
Exact Mass271.18
IUPAC Nameethane;methanol;1-[5-(methoxymethyl)oxolan-2-yl]pyridin-4-one
SMILESCC.CO.COCC1CCC(n2ccc(=O)cc2)O1
InChIInChI=1S/C11H15NO3.C2H6.CH4O/c1-14-8-10-2-3-11(15-10)12-6-4-9(13)5-7-12;2*1-2/h4-7,10-11H,2-3,8H2,1H3;1-2H3;2H,1H3
InChIKeyMURROHIAMLLZOE-UHFFFAOYSA-N
XLogP1.81
TPSA60.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyridin-4-one
CID 46876104
1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyridin-4-one
CID 14331213
1-[(2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyridin-4-one
CID 164788440
1-[(2R,3R,4R,5R)-3-fluoro-4-methoxy-5-(methoxymethyl)oxolan-2-yl]pyridin-4-one
CID 164788466
1-[(2R,3R,4R,5R)-3-fluoro-4-propan-2-yloxy-5-(propan-2-yloxymethyl)oxolan-2-yl]pyridin-4-one
CID 164788499
1-[(2R,3R,5S)-3-fluoro-5-(methoxymethyl)oxolan-2-yl]pyridin-4-one
CID 167508848
1-[(2R,3R,5S)-5-(ethoxymethyl)-3-fluorooxolan-2-yl]pyridin-4-one
CID 172569523
1-(2-Deoxypentofuranosyl)pyridin-4(1h)-one
CID 286491
1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyridin-4-one
CID 14427742
1-[(2R,5S)-5-(methoxymethyl)oxolan-2-yl]pyridin-4-one
CID 156851334
1-[5-(Methoxymethyl)oxolan-2-yl]pyridin-4-one
CID 156851340
1-[5-(Hydroxymethyl)oxolan-2-yl]pyridin-4-one
CID 156851362

Frequently Asked Questions

What is the IUPAC name of ethane;methanol;1-[5-(methoxymethyl)oxolan-2-yl]pyridin-4-one?
The IUPAC name of ethane;methanol;1-[5-(methoxymethyl)oxolan-2-yl]pyridin-4-one (CID 156851339) is ethane;methanol;1-[5-(methoxymethyl)oxolan-2-yl]pyridin-4-one.
What is the SMILES notation for ethane;methanol;1-[5-(methoxymethyl)oxolan-2-yl]pyridin-4-one?
The canonical SMILES for ethane;methanol;1-[5-(methoxymethyl)oxolan-2-yl]pyridin-4-one is CC.CO.COCC1CCC(n2ccc(=O)cc2)O1.
What is the InChIKey of ethane;methanol;1-[5-(methoxymethyl)oxolan-2-yl]pyridin-4-one?
The InChIKey is MURROHIAMLLZOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3.C2H6.CH4O/c1-14-8-10-2-3-11(15-10)12-6-4-9(13)5-7-12;2*1-2/h4-7,10-11H,2-3,8H2,1H3;1-2H3;2H,1H3.
What are the key properties of ethane;methanol;1-[5-(methoxymethyl)oxolan-2-yl]pyridin-4-one?
ethane;methanol;1-[5-(methoxymethyl)oxolan-2-yl]pyridin-4-one has a molecular weight of 271.36 g/mol, XLogP of 1.81, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methanol;1-[5-(methoxymethyl)oxolan-2-yl]pyridin-4-one is sourced from PubChem (CID 156851339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).