5,7-dimethyl-4-(morpholin-4-ylmethyl)chromen-2-one

C16H19NO3 — CID 943831

IUPAC5,7-dimethyl-4-(morpholin-4-ylmethyl)chromen-2-one
SMILESCc1cc(C)c2c(CN3CCOCC3)cc(=O)oc2c1
InChIInChI=1S/C16H19NO3/c1-11-7-12(2)16-13(9-15(18)20-14(16)8-11)10-17-3-5-19-6-4-17/h7-9H,3-6,10H2,1-2H3
InChIKeyXANPGCNPAQFXDH-UHFFFAOYSA-N
MW273.33 g/mol
LogP2.24
Rot. Bonds2

About 5,7-dimethyl-4-(morpholin-4-ylmethyl)chromen-2-one

5,7-dimethyl-4-(morpholin-4-ylmethyl)chromen-2-one (PubChem CID 943831) has the molecular formula C16H19NO3 and a molecular weight of 273.33 g/mol. Its IUPAC name is 5,7-dimethyl-4-(morpholin-4-ylmethyl)chromen-2-one.

Molecular Properties

Compound Name5,7-dimethyl-4-(morpholin-4-ylmethyl)chromen-2-one
PubChem CID943831
Molecular FormulaC16H19NO3
Molecular Weight273.33 g/mol
Exact Mass273.14
IUPAC Name5,7-dimethyl-4-(morpholin-4-ylmethyl)chromen-2-one
SMILESCc1cc(C)c2c(CN3CCOCC3)cc(=O)oc2c1
InChIInChI=1S/C16H19NO3/c1-11-7-12(2)16-13(9-15(18)20-14(16)8-11)10-17-3-5-19-6-4-17/h7-9H,3-6,10H2,1-2H3
InChIKeyXANPGCNPAQFXDH-UHFFFAOYSA-N
XLogP2.24
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 52.24
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 5,7-dimethyl-4-(morpholin-4-ylmethyl)chromen-2-one?
The IUPAC name of 5,7-dimethyl-4-(morpholin-4-ylmethyl)chromen-2-one (CID 943831) is 5,7-dimethyl-4-(morpholin-4-ylmethyl)chromen-2-one.
What is the SMILES notation for 5,7-dimethyl-4-(morpholin-4-ylmethyl)chromen-2-one?
The canonical SMILES for 5,7-dimethyl-4-(morpholin-4-ylmethyl)chromen-2-one is Cc1cc(C)c2c(CN3CCOCC3)cc(=O)oc2c1.
What is the InChIKey of 5,7-dimethyl-4-(morpholin-4-ylmethyl)chromen-2-one?
The InChIKey is XANPGCNPAQFXDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3/c1-11-7-12(2)16-13(9-15(18)20-14(16)8-11)10-17-3-5-19-6-4-17/h7-9H,3-6,10H2,1-2H3.
What are the key properties of 5,7-dimethyl-4-(morpholin-4-ylmethyl)chromen-2-one?
5,7-dimethyl-4-(morpholin-4-ylmethyl)chromen-2-one has a molecular weight of 273.33 g/mol, XLogP of 2.24, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethyl-4-(morpholin-4-ylmethyl)chromen-2-one is sourced from PubChem (CID 943831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).