3-(morpholine-4-carbonyl)chromen-2-one

C14H13NO4 — CID 28914

IUPAC3-(morpholine-4-carbonyl)chromen-2-one
SMILESO=C(c1cc2ccccc2oc1=O)N1CCOCC1
InChIInChI=1S/C14H13NO4/c16-13(15-5-7-18-8-6-15)11-9-10-3-1-2-4-12(10)19-14(11)17/h1-4,9H,5-8H2
InChIKeySLSKQRHMOPTNAU-UHFFFAOYSA-N
MW259.26 g/mol
LogP1.27
Rot. Bonds1

About 3-(morpholine-4-carbonyl)chromen-2-one

3-(morpholine-4-carbonyl)chromen-2-one (PubChem CID 28914) has the molecular formula C14H13NO4 and a molecular weight of 259.26 g/mol. Its IUPAC name is 3-(morpholine-4-carbonyl)chromen-2-one.

Molecular Properties

Compound Name3-(morpholine-4-carbonyl)chromen-2-one
PubChem CID28914
Molecular FormulaC14H13NO4
Molecular Weight259.26 g/mol
Exact Mass259.08
IUPAC Name3-(morpholine-4-carbonyl)chromen-2-one
SMILESO=C(c1cc2ccccc2oc1=O)N1CCOCC1
InChIInChI=1S/C14H13NO4/c16-13(15-5-7-18-8-6-15)11-9-10-3-1-2-4-12(10)19-14(11)17/h1-4,9H,5-8H2
InChIKeySLSKQRHMOPTNAU-UHFFFAOYSA-N
XLogP1.27
TPSA59.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.26
LogP ≤ 51.27
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 3-(morpholine-4-carbonyl)chromen-2-one?
The IUPAC name of 3-(morpholine-4-carbonyl)chromen-2-one (CID 28914) is 3-(morpholine-4-carbonyl)chromen-2-one.
What is the SMILES notation for 3-(morpholine-4-carbonyl)chromen-2-one?
The canonical SMILES for 3-(morpholine-4-carbonyl)chromen-2-one is O=C(c1cc2ccccc2oc1=O)N1CCOCC1.
What is the InChIKey of 3-(morpholine-4-carbonyl)chromen-2-one?
The InChIKey is SLSKQRHMOPTNAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO4/c16-13(15-5-7-18-8-6-15)11-9-10-3-1-2-4-12(10)19-14(11)17/h1-4,9H,5-8H2.
What are the key properties of 3-(morpholine-4-carbonyl)chromen-2-one?
3-(morpholine-4-carbonyl)chromen-2-one has a molecular weight of 259.26 g/mol, XLogP of 1.27, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(morpholine-4-carbonyl)chromen-2-one is sourced from PubChem (CID 28914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).