6-methyl-4-(morpholin-4-ylmethyl)chromen-2-one

C15H17NO3 — CID 599866

IUPAC6-methyl-4-(morpholin-4-ylmethyl)chromen-2-one
SMILESCc1ccc2oc(=O)cc(CN3CCOCC3)c2c1
InChIInChI=1S/C15H17NO3/c1-11-2-3-14-13(8-11)12(9-15(17)19-14)10-16-4-6-18-7-5-16/h2-3,8-9H,4-7,10H2,1H3
InChIKeyICJPSOWZOAYPBH-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.93
Rot. Bonds2

About 6-methyl-4-(morpholin-4-ylmethyl)chromen-2-one

6-methyl-4-(morpholin-4-ylmethyl)chromen-2-one (PubChem CID 599866) has the molecular formula C15H17NO3 and a molecular weight of 259.31 g/mol. Its IUPAC name is 6-methyl-4-(morpholin-4-ylmethyl)chromen-2-one.

Molecular Properties

Compound Name6-methyl-4-(morpholin-4-ylmethyl)chromen-2-one
PubChem CID599866
Molecular FormulaC15H17NO3
Molecular Weight259.31 g/mol
Exact Mass259.12
IUPAC Name6-methyl-4-(morpholin-4-ylmethyl)chromen-2-one
SMILESCc1ccc2oc(=O)cc(CN3CCOCC3)c2c1
InChIInChI=1S/C15H17NO3/c1-11-2-3-14-13(8-11)12(9-15(17)19-14)10-16-4-6-18-7-5-16/h2-3,8-9H,4-7,10H2,1H3
InChIKeyICJPSOWZOAYPBH-UHFFFAOYSA-N
XLogP1.93
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.93
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-ylmethyl)chromen-2-one?
The IUPAC name of 6-methyl-4-(morpholin-4-ylmethyl)chromen-2-one (CID 599866) is 6-methyl-4-(morpholin-4-ylmethyl)chromen-2-one.
What is the SMILES notation for 6-methyl-4-(morpholin-4-ylmethyl)chromen-2-one?
The canonical SMILES for 6-methyl-4-(morpholin-4-ylmethyl)chromen-2-one is Cc1ccc2oc(=O)cc(CN3CCOCC3)c2c1.
What is the InChIKey of 6-methyl-4-(morpholin-4-ylmethyl)chromen-2-one?
The InChIKey is ICJPSOWZOAYPBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3/c1-11-2-3-14-13(8-11)12(9-15(17)19-14)10-16-4-6-18-7-5-16/h2-3,8-9H,4-7,10H2,1H3.
What are the key properties of 6-methyl-4-(morpholin-4-ylmethyl)chromen-2-one?
6-methyl-4-(morpholin-4-ylmethyl)chromen-2-one has a molecular weight of 259.31 g/mol, XLogP of 1.93, 2 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-ylmethyl)chromen-2-one is sourced from PubChem (CID 599866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).