2-methyl-6-morpholin-4-ylpyran-4-one

C10H13NO3 — CID 121400869

IUPAC2-methyl-6-morpholin-4-ylpyran-4-one
SMILESCc1cc(=O)cc(N2CCOCC2)o1
InChIInChI=1S/C10H13NO3/c1-8-6-9(12)7-10(14-8)11-2-4-13-5-3-11/h6-7H,2-5H2,1H3
InChIKeyMNNWLQOMRKUMAN-UHFFFAOYSA-N
MW195.22 g/mol
LogP0.78
Rot. Bonds1

About 2-methyl-6-morpholin-4-ylpyran-4-one

2-methyl-6-morpholin-4-ylpyran-4-one (PubChem CID 121400869) has the molecular formula C10H13NO3 and a molecular weight of 195.22 g/mol. Its IUPAC name is 2-methyl-6-morpholin-4-ylpyran-4-one.

Molecular Properties

Compound Name2-methyl-6-morpholin-4-ylpyran-4-one
PubChem CID121400869
Molecular FormulaC10H13NO3
Molecular Weight195.22 g/mol
Exact Mass195.09
IUPAC Name2-methyl-6-morpholin-4-ylpyran-4-one
SMILESCc1cc(=O)cc(N2CCOCC2)o1
InChIInChI=1S/C10H13NO3/c1-8-6-9(12)7-10(14-8)11-2-4-13-5-3-11/h6-7H,2-5H2,1H3
InChIKeyMNNWLQOMRKUMAN-UHFFFAOYSA-N
XLogP0.78
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 50.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-methyl-6-morpholin-4-ylpyran-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-methyl-2-morpholin-4-yl-4H-thiopyran-4-one
CID 16203710
3-Penten-2-one, 4-morpholino-
CID 5373307
4-Morpholin-4-yl-pent-3-en-2-one
CID 592427
(Z)-4-morpholin-4-ylpent-3-en-2-one
CID 21160636
(E)-5-morpholin-4-ylhex-4-en-3-one
CID 134894545
2-(Morpholin-4-ylmethyl)pyran-4-one
CID 87246582
2-Morpholin-4-yl-6-pentylpyran-4-one
CID 87544806
2,3-Dimethyl-6-(3-methylmorpholin-4-yl)pyran-4-one
CID 91239414
4-Methoxy-4-morpholin-4-ylbut-3-en-2-one
CID 91332054
3-[(E)-but-2-en-2-yl]sulfanyl-2-methyl-6-morpholin-4-ylpyran-4-one
CID 126487712
(E)-4-[(3R,5R)-3,5-dimethylmorpholin-4-yl]pent-3-en-2-one
CID 139523180
(E)-4-morpholin-4-ylhex-3-en-2-one
CID 144558574

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-morpholin-4-ylpyran-4-one?
The IUPAC name of 2-methyl-6-morpholin-4-ylpyran-4-one (CID 121400869) is 2-methyl-6-morpholin-4-ylpyran-4-one.
What is the SMILES notation for 2-methyl-6-morpholin-4-ylpyran-4-one?
The canonical SMILES for 2-methyl-6-morpholin-4-ylpyran-4-one is Cc1cc(=O)cc(N2CCOCC2)o1.
What is the InChIKey of 2-methyl-6-morpholin-4-ylpyran-4-one?
The InChIKey is MNNWLQOMRKUMAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO3/c1-8-6-9(12)7-10(14-8)11-2-4-13-5-3-11/h6-7H,2-5H2,1H3.
What are the key properties of 2-methyl-6-morpholin-4-ylpyran-4-one?
2-methyl-6-morpholin-4-ylpyran-4-one has a molecular weight of 195.22 g/mol, XLogP of 0.78, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-morpholin-4-ylpyran-4-one is sourced from PubChem (CID 121400869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).