2-methyl-3-(3-morpholin-4-yl-3-oxopropoxy)pyran-4-one

C13H17NO5 — CID 82064547

IUPAC2-methyl-3-(3-morpholin-4-yl-3-oxopropoxy)pyran-4-one
SMILESCc1occc(=O)c1OCCC(=O)N1CCOCC1
InChIInChI=1S/C13H17NO5/c1-10-13(11(15)2-6-18-10)19-7-3-12(16)14-4-8-17-9-5-14/h2,6H,3-5,7-9H2,1H3
InChIKeyVSXDJHGYXUQTMN-UHFFFAOYSA-N
MW267.28 g/mol
LogP0.58
Rot. Bonds4

About 2-methyl-3-(3-morpholin-4-yl-3-oxopropoxy)pyran-4-one

2-methyl-3-(3-morpholin-4-yl-3-oxopropoxy)pyran-4-one (PubChem CID 82064547) has the molecular formula C13H17NO5 and a molecular weight of 267.28 g/mol. Its IUPAC name is 2-methyl-3-(3-morpholin-4-yl-3-oxopropoxy)pyran-4-one.

Molecular Properties

Compound Name2-methyl-3-(3-morpholin-4-yl-3-oxopropoxy)pyran-4-one
PubChem CID82064547
Molecular FormulaC13H17NO5
Molecular Weight267.28 g/mol
Exact Mass267.11
IUPAC Name2-methyl-3-(3-morpholin-4-yl-3-oxopropoxy)pyran-4-one
SMILESCc1occc(=O)c1OCCC(=O)N1CCOCC1
InChIInChI=1S/C13H17NO5/c1-10-13(11(15)2-6-18-10)19-7-3-12(16)14-4-8-17-9-5-14/h2,6H,3-5,7-9H2,1H3
InChIKeyVSXDJHGYXUQTMN-UHFFFAOYSA-N
XLogP0.58
TPSA68.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 50.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-3-[2-[(2R,3R)-3-methyl-2-(trifluoromethyl)morpholin-4-yl]-2-oxoethoxy]pyran-4-one
CID 138024141
2-{[(3S)-3-ethylmorpholin-4-yl]carbonyl}-5-methoxy-4H-pyran-4-one
CID 70773826
2-Methyl-3-(3-oxo-3-piperidin-1-ylpropoxy)pyran-4-one
CID 82064543
2-Methyl-3-[3-(4-methylpiperidin-1-yl)-3-oxopropoxy]pyran-4-one
CID 82064545
2-methyl-3-(3-morpholin-4-yl-3-oxopropoxy)-1H-pyridin-4-one
CID 82064548
N,N-diethyl-2-(2-methyl-4-oxopyran-3-yl)oxyacetamide
CID 82064556
2-(2-methyl-4-oxopyran-3-yl)oxy-N,N-dipropylacetamide
CID 82064558
N-butyl-N-methyl-2-(2-methyl-4-oxopyran-3-yl)oxyacetamide
CID 82064560
2-Methyl-3-(2-morpholin-4-ylethoxy)pyran-4-one
CID 82064672
5-methoxy-2-(morpholine-4-carbonyl)-4H-pyran-4-one
CID 91823098
5-Methoxy-2-[3-(2-methoxyethyl)morpholine-4-carbonyl]pyran-4-one
CID 136544076
5-Methoxy-2-(2-methylmorpholine-4-carbonyl)pyran-4-one
CID 146086749

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(3-morpholin-4-yl-3-oxopropoxy)pyran-4-one?
The IUPAC name of 2-methyl-3-(3-morpholin-4-yl-3-oxopropoxy)pyran-4-one (CID 82064547) is 2-methyl-3-(3-morpholin-4-yl-3-oxopropoxy)pyran-4-one.
What is the SMILES notation for 2-methyl-3-(3-morpholin-4-yl-3-oxopropoxy)pyran-4-one?
The canonical SMILES for 2-methyl-3-(3-morpholin-4-yl-3-oxopropoxy)pyran-4-one is Cc1occc(=O)c1OCCC(=O)N1CCOCC1.
What is the InChIKey of 2-methyl-3-(3-morpholin-4-yl-3-oxopropoxy)pyran-4-one?
The InChIKey is VSXDJHGYXUQTMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO5/c1-10-13(11(15)2-6-18-10)19-7-3-12(16)14-4-8-17-9-5-14/h2,6H,3-5,7-9H2,1H3.
What are the key properties of 2-methyl-3-(3-morpholin-4-yl-3-oxopropoxy)pyran-4-one?
2-methyl-3-(3-morpholin-4-yl-3-oxopropoxy)pyran-4-one has a molecular weight of 267.28 g/mol, XLogP of 0.58, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(3-morpholin-4-yl-3-oxopropoxy)pyran-4-one is sourced from PubChem (CID 82064547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).