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

C15H17NO4 — CID 941988

IUPAC6-hydroxy-7-methyl-4-(morpholin-4-ylmethyl)chromen-2-one
SMILESCc1cc2oc(=O)cc(CN3CCOCC3)c2cc1O
InChIInChI=1S/C15H17NO4/c1-10-6-14-12(8-13(10)17)11(7-15(18)20-14)9-16-2-4-19-5-3-16/h6-8,17H,2-5,9H2,1H3
InChIKeyRHRLUMFHXZLPBA-UHFFFAOYSA-N
MW275.30 g/mol
LogP1.64
Rot. Bonds2

About 6-hydroxy-7-methyl-4-(morpholin-4-ylmethyl)chromen-2-one

6-hydroxy-7-methyl-4-(morpholin-4-ylmethyl)chromen-2-one (PubChem CID 941988) has the molecular formula C15H17NO4 and a molecular weight of 275.30 g/mol. Its IUPAC name is 6-hydroxy-7-methyl-4-(morpholin-4-ylmethyl)chromen-2-one.

Molecular Properties

Compound Name6-hydroxy-7-methyl-4-(morpholin-4-ylmethyl)chromen-2-one
PubChem CID941988
Molecular FormulaC15H17NO4
Molecular Weight275.30 g/mol
Exact Mass275.12
IUPAC Name6-hydroxy-7-methyl-4-(morpholin-4-ylmethyl)chromen-2-one
SMILESCc1cc2oc(=O)cc(CN3CCOCC3)c2cc1O
InChIInChI=1S/C15H17NO4/c1-10-6-14-12(8-13(10)17)11(7-15(18)20-14)9-16-2-4-19-5-3-16/h6-8,17H,2-5,9H2,1H3
InChIKeyRHRLUMFHXZLPBA-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 6-hydroxy-7-methyl-4-(morpholin-4-ylmethyl)chromen-2-one?
The IUPAC name of 6-hydroxy-7-methyl-4-(morpholin-4-ylmethyl)chromen-2-one (CID 941988) is 6-hydroxy-7-methyl-4-(morpholin-4-ylmethyl)chromen-2-one.
What is the SMILES notation for 6-hydroxy-7-methyl-4-(morpholin-4-ylmethyl)chromen-2-one?
The canonical SMILES for 6-hydroxy-7-methyl-4-(morpholin-4-ylmethyl)chromen-2-one is Cc1cc2oc(=O)cc(CN3CCOCC3)c2cc1O.
What is the InChIKey of 6-hydroxy-7-methyl-4-(morpholin-4-ylmethyl)chromen-2-one?
The InChIKey is RHRLUMFHXZLPBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO4/c1-10-6-14-12(8-13(10)17)11(7-15(18)20-14)9-16-2-4-19-5-3-16/h6-8,17H,2-5,9H2,1H3.
What are the key properties of 6-hydroxy-7-methyl-4-(morpholin-4-ylmethyl)chromen-2-one?
6-hydroxy-7-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 6-hydroxy-7-methyl-4-(morpholin-4-ylmethyl)chromen-2-one is sourced from PubChem (CID 941988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).