7-hydroxy-8-methyl-4-(morpholin-4-ylmethyl)chromen-2-one

C15H17NO4 — CID 6215320

IUPAC7-hydroxy-8-methyl-4-(morpholin-4-ylmethyl)chromen-2-one
SMILESCc1c(O)ccc2c(CN3CCOCC3)cc(=O)oc12
InChIInChI=1S/C15H17NO4/c1-10-13(17)3-2-12-11(8-14(18)20-15(10)12)9-16-4-6-19-7-5-16/h2-3,8,17H,4-7,9H2,1H3
InChIKeyZWZKORBNOCDZQY-UHFFFAOYSA-N
MW275.30 g/mol
LogP1.64
Rot. Bonds2

About 7-hydroxy-8-methyl-4-(morpholin-4-ylmethyl)chromen-2-one

7-hydroxy-8-methyl-4-(morpholin-4-ylmethyl)chromen-2-one (PubChem CID 6215320) has the molecular formula C15H17NO4 and a molecular weight of 275.30 g/mol. Its IUPAC name is 7-hydroxy-8-methyl-4-(morpholin-4-ylmethyl)chromen-2-one.

Molecular Properties

Compound Name7-hydroxy-8-methyl-4-(morpholin-4-ylmethyl)chromen-2-one
PubChem CID6215320
Molecular FormulaC15H17NO4
Molecular Weight275.30 g/mol
Exact Mass275.12
IUPAC Name7-hydroxy-8-methyl-4-(morpholin-4-ylmethyl)chromen-2-one
SMILESCc1c(O)ccc2c(CN3CCOCC3)cc(=O)oc12
InChIInChI=1S/C15H17NO4/c1-10-13(17)3-2-12-11(8-14(18)20-15(10)12)9-16-4-6-19-7-5-16/h2-3,8,17H,4-7,9H2,1H3
InChIKeyZWZKORBNOCDZQY-UHFFFAOYSA-N
XLogP1.64
TPSA62.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.30
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-8-methyl-4-(morpholin-4-ylmethyl)chromen-2-one?
The IUPAC name of 7-hydroxy-8-methyl-4-(morpholin-4-ylmethyl)chromen-2-one (CID 6215320) is 7-hydroxy-8-methyl-4-(morpholin-4-ylmethyl)chromen-2-one.
What is the SMILES notation for 7-hydroxy-8-methyl-4-(morpholin-4-ylmethyl)chromen-2-one?
The canonical SMILES for 7-hydroxy-8-methyl-4-(morpholin-4-ylmethyl)chromen-2-one is Cc1c(O)ccc2c(CN3CCOCC3)cc(=O)oc12.
What is the InChIKey of 7-hydroxy-8-methyl-4-(morpholin-4-ylmethyl)chromen-2-one?
The InChIKey is ZWZKORBNOCDZQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO4/c1-10-13(17)3-2-12-11(8-14(18)20-15(10)12)9-16-4-6-19-7-5-16/h2-3,8,17H,4-7,9H2,1H3.
What are the key properties of 7-hydroxy-8-methyl-4-(morpholin-4-ylmethyl)chromen-2-one?
7-hydroxy-8-methyl-4-(morpholin-4-ylmethyl)chromen-2-one has a molecular weight of 275.30 g/mol, XLogP of 1.64, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-8-methyl-4-(morpholin-4-ylmethyl)chromen-2-one is sourced from PubChem (CID 6215320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).