5-methoxy-2-[3-(2-methoxyethyl)morpholine-4-carbonyl]pyran-4-one

C14H19NO6 — CID 136544076

IUPAC5-methoxy-2-[3-(2-methoxyethyl)morpholine-4-carbonyl]pyran-4-one
SMILESCOCCC1COCCN1C(=O)c1cc(=O)c(OC)co1
InChIInChI=1S/C14H19NO6/c1-18-5-3-10-8-20-6-4-15(10)14(17)12-7-11(16)13(19-2)9-21-12/h7,9-10H,3-6,8H2,1-2H3
InChIKeyBHYBQJMOGJTFKH-UHFFFAOYSA-N
MW297.31 g/mol
LogP0.53
Rot. Bonds5

About 5-methoxy-2-[3-(2-methoxyethyl)morpholine-4-carbonyl]pyran-4-one

5-methoxy-2-[3-(2-methoxyethyl)morpholine-4-carbonyl]pyran-4-one (PubChem CID 136544076) has the molecular formula C14H19NO6 and a molecular weight of 297.31 g/mol. Its IUPAC name is 5-methoxy-2-[3-(2-methoxyethyl)morpholine-4-carbonyl]pyran-4-one.

Molecular Properties

Compound Name5-methoxy-2-[3-(2-methoxyethyl)morpholine-4-carbonyl]pyran-4-one
PubChem CID136544076
Molecular FormulaC14H19NO6
Molecular Weight297.31 g/mol
Exact Mass297.12
IUPAC Name5-methoxy-2-[3-(2-methoxyethyl)morpholine-4-carbonyl]pyran-4-one
SMILESCOCCC1COCCN1C(=O)c1cc(=O)c(OC)co1
InChIInChI=1S/C14H19NO6/c1-18-5-3-10-8-20-6-4-15(10)14(17)12-7-11(16)13(19-2)9-21-12/h7,9-10H,3-6,8H2,1-2H3
InChIKeyBHYBQJMOGJTFKH-UHFFFAOYSA-N
XLogP0.53
TPSA78.21 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 50.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-methoxy-2-[(2S)-2-(2-thiophen-2-ylethyl)piperidine-1-carbonyl]pyran-4-one
CID 97203173
3-(furan-2-yl)-1-[3-(2-methoxyethyl)morpholin-4-yl]propan-1-one
CID 136544071
1-[3-(2-methoxyethyl)morpholin-4-yl]-3-(3-methylimidazol-4-yl)propan-1-one
CID 154739322
(3,4-dimethoxyphenyl)-[3-(hydroxymethyl)morpholin-4-yl]methanone
CID 84581547
[3-(aminomethyl)morpholin-4-yl]-(4-methoxy-3-methylphenyl)methanone
CID 115270840
[3-(2-methoxyphenyl)phenyl]-(3-propylmorpholin-4-yl)methanone
CID 91777127
5-methoxy-2-[(2S)-2-(1-methylpyrrol-2-yl)piperidine-1-carbonyl]pyran-4-one
CID 125141713
[3-(2-methoxyethyl)morpholin-4-yl]-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methanone
CID 139004777
5-methoxy-2-[(2R,5S)-5-methyl-2-(2-methylphenyl)morpholine-4-carbonyl]pyran-4-one
CID 124873677
5-methoxy-2-[4-(2-methoxyphenyl)piperazine-1-carbonyl]pyran-4-one
CID 27378207
[3-(methoxymethyl)phenyl]-[(3S)-3-[2-(3-methylpyrazin-2-yl)ethyl]morpholin-4-yl]methanone
CID 124956604
2-[(3R)-4-(3-fluoro-4-methoxybenzoyl)morpholin-3-yl]acetic acid
CID 129381420

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-[3-(2-methoxyethyl)morpholine-4-carbonyl]pyran-4-one?
The IUPAC name of 5-methoxy-2-[3-(2-methoxyethyl)morpholine-4-carbonyl]pyran-4-one (CID 136544076) is 5-methoxy-2-[3-(2-methoxyethyl)morpholine-4-carbonyl]pyran-4-one.
What is the SMILES notation for 5-methoxy-2-[3-(2-methoxyethyl)morpholine-4-carbonyl]pyran-4-one?
The canonical SMILES for 5-methoxy-2-[3-(2-methoxyethyl)morpholine-4-carbonyl]pyran-4-one is COCCC1COCCN1C(=O)c1cc(=O)c(OC)co1.
What is the InChIKey of 5-methoxy-2-[3-(2-methoxyethyl)morpholine-4-carbonyl]pyran-4-one?
The InChIKey is BHYBQJMOGJTFKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO6/c1-18-5-3-10-8-20-6-4-15(10)14(17)12-7-11(16)13(19-2)9-21-12/h7,9-10H,3-6,8H2,1-2H3.
What are the key properties of 5-methoxy-2-[3-(2-methoxyethyl)morpholine-4-carbonyl]pyran-4-one?
5-methoxy-2-[3-(2-methoxyethyl)morpholine-4-carbonyl]pyran-4-one has a molecular weight of 297.31 g/mol, XLogP of 0.53, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-[3-(2-methoxyethyl)morpholine-4-carbonyl]pyran-4-one is sourced from PubChem (CID 136544076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).