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

C14H15NO4 — CID 5490061

IUPAC7-hydroxy-4-(morpholin-4-ylmethyl)chromen-2-one
SMILESO=c1cc(CN2CCOCC2)c2ccc(O)cc2o1
InChIInChI=1S/C14H15NO4/c16-11-1-2-12-10(7-14(17)19-13(12)8-11)9-15-3-5-18-6-4-15/h1-2,7-8,16H,3-6,9H2
InChIKeyLLQWUZKGZZNBKG-UHFFFAOYSA-N
MW261.28 g/mol
LogP1.33
Rot. Bonds2

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

7-hydroxy-4-(morpholin-4-ylmethyl)chromen-2-one (PubChem CID 5490061) has the molecular formula C14H15NO4 and a molecular weight of 261.28 g/mol. Its IUPAC name is 7-hydroxy-4-(morpholin-4-ylmethyl)chromen-2-one.

Molecular Properties

Compound Name7-hydroxy-4-(morpholin-4-ylmethyl)chromen-2-one
PubChem CID5490061
Molecular FormulaC14H15NO4
Molecular Weight261.28 g/mol
Exact Mass261.10
IUPAC Name7-hydroxy-4-(morpholin-4-ylmethyl)chromen-2-one
SMILESO=c1cc(CN2CCOCC2)c2ccc(O)cc2o1
InChIInChI=1S/C14H15NO4/c16-11-1-2-12-10(7-14(17)19-13(12)8-11)9-15-3-5-18-6-4-15/h1-2,7-8,16H,3-6,9H2
InChIKeyLLQWUZKGZZNBKG-UHFFFAOYSA-N
XLogP1.33
TPSA62.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 51.33
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-4-(morpholin-4-ylmethyl)chromen-2-one?
The IUPAC name of 7-hydroxy-4-(morpholin-4-ylmethyl)chromen-2-one (CID 5490061) is 7-hydroxy-4-(morpholin-4-ylmethyl)chromen-2-one.
What is the SMILES notation for 7-hydroxy-4-(morpholin-4-ylmethyl)chromen-2-one?
The canonical SMILES for 7-hydroxy-4-(morpholin-4-ylmethyl)chromen-2-one is O=c1cc(CN2CCOCC2)c2ccc(O)cc2o1.
What is the InChIKey of 7-hydroxy-4-(morpholin-4-ylmethyl)chromen-2-one?
The InChIKey is LLQWUZKGZZNBKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO4/c16-11-1-2-12-10(7-14(17)19-13(12)8-11)9-15-3-5-18-6-4-15/h1-2,7-8,16H,3-6,9H2.
What are the key properties of 7-hydroxy-4-(morpholin-4-ylmethyl)chromen-2-one?
7-hydroxy-4-(morpholin-4-ylmethyl)chromen-2-one has a molecular weight of 261.28 g/mol, XLogP of 1.33, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-4-(morpholin-4-ylmethyl)chromen-2-one is sourced from PubChem (CID 5490061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).