6-methyl-4-morpholin-4-ylchromen-2-one

C14H15NO3 — CID 11075707

IUPAC6-methyl-4-morpholin-4-ylchromen-2-one
SMILESCc1ccc2oc(=O)cc(N3CCOCC3)c2c1
InChIInChI=1S/C14H15NO3/c1-10-2-3-13-11(8-10)12(9-14(16)18-13)15-4-6-17-7-5-15/h2-3,8-9H,4-7H2,1H3
InChIKeyXWKCKOOKHALUIU-UHFFFAOYSA-N
MW245.28 g/mol
LogP1.94
Rot. Bonds1

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

6-methyl-4-morpholin-4-ylchromen-2-one (PubChem CID 11075707) has the molecular formula C14H15NO3 and a molecular weight of 245.28 g/mol. Its IUPAC name is 6-methyl-4-morpholin-4-ylchromen-2-one.

Molecular Properties

Compound Name6-methyl-4-morpholin-4-ylchromen-2-one
PubChem CID11075707
Molecular FormulaC14H15NO3
Molecular Weight245.28 g/mol
Exact Mass245.11
IUPAC Name6-methyl-4-morpholin-4-ylchromen-2-one
SMILESCc1ccc2oc(=O)cc(N3CCOCC3)c2c1
InChIInChI=1S/C14H15NO3/c1-10-2-3-13-11(8-10)12(9-14(16)18-13)15-4-6-17-7-5-15/h2-3,8-9H,4-7H2,1H3
InChIKeyXWKCKOOKHALUIU-UHFFFAOYSA-N
XLogP1.94
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-morpholin-4-ylchromen-2-one?
The IUPAC name of 6-methyl-4-morpholin-4-ylchromen-2-one (CID 11075707) is 6-methyl-4-morpholin-4-ylchromen-2-one.
What is the SMILES notation for 6-methyl-4-morpholin-4-ylchromen-2-one?
The canonical SMILES for 6-methyl-4-morpholin-4-ylchromen-2-one is Cc1ccc2oc(=O)cc(N3CCOCC3)c2c1.
What is the InChIKey of 6-methyl-4-morpholin-4-ylchromen-2-one?
The InChIKey is XWKCKOOKHALUIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO3/c1-10-2-3-13-11(8-10)12(9-14(16)18-13)15-4-6-17-7-5-15/h2-3,8-9H,4-7H2,1H3.
What are the key properties of 6-methyl-4-morpholin-4-ylchromen-2-one?
6-methyl-4-morpholin-4-ylchromen-2-one has a molecular weight of 245.28 g/mol, XLogP of 1.94, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-morpholin-4-ylchromen-2-one is sourced from PubChem (CID 11075707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).