(2-oxochromen-7-yl) morpholine-4-carboxylate

C14H13NO5 — CID 847634

IUPAC(2-oxochromen-7-yl) morpholine-4-carboxylate
SMILESO=C(Oc1ccc2ccc(=O)oc2c1)N1CCOCC1
InChIInChI=1S/C14H13NO5/c16-13-4-2-10-1-3-11(9-12(10)20-13)19-14(17)15-5-7-18-8-6-15/h1-4,9H,5-8H2
InChIKeyRVTNPEHZVAYPOE-UHFFFAOYSA-N
MW275.26 g/mol
LogP1.62
Rot. Bonds1

About (2-oxochromen-7-yl) morpholine-4-carboxylate

(2-oxochromen-7-yl) morpholine-4-carboxylate (PubChem CID 847634) has the molecular formula C14H13NO5 and a molecular weight of 275.26 g/mol. Its IUPAC name is (2-oxochromen-7-yl) morpholine-4-carboxylate.

Molecular Properties

Compound Name(2-oxochromen-7-yl) morpholine-4-carboxylate
PubChem CID847634
Molecular FormulaC14H13NO5
Molecular Weight275.26 g/mol
Exact Mass275.08
IUPAC Name(2-oxochromen-7-yl) morpholine-4-carboxylate
SMILESO=C(Oc1ccc2ccc(=O)oc2c1)N1CCOCC1
InChIInChI=1S/C14H13NO5/c16-13-4-2-10-1-3-11(9-12(10)20-13)19-14(17)15-5-7-18-8-6-15/h1-4,9H,5-8H2
InChIKeyRVTNPEHZVAYPOE-UHFFFAOYSA-N
XLogP1.62
TPSA68.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.26
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2-oxo-3-phenylchromen-7-yl) morpholine-4-carboxylate
CID 7198394
[8-(morpholine-4-carbonyloxy)naphthalen-2-yl] morpholine-4-carboxylate
CID 649992
(2-oxochromen-7-yl) 2-methylpropanoate
CID 10966364
(2-oxochromen-7-yl) 2-chloroprop-2-enoate
CID 21251841
(2-oxochromen-7-yl) butanoate
CID 781717
N-(6-morpholin-4-yl-3-pyridinyl)-2-(2-oxochromen-7-yl)oxyacetamide
CID 34442404
N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)-2-(2-oxochromen-7-yl)oxyacetamide
CID 16504639
[3-(4-chlorophenyl)-4-methyl-2-oxochromen-7-yl] morpholine-4-carboxylate
CID 7198400
N-(3-ethyl-2-morpholin-4-ylpentyl)-2-(2-oxochromen-7-yl)oxyacetamide
CID 55550585
(2-oxochromen-7-yl) hypoiodite
CID 138751183
(4-nitrophenyl) morpholine-4-carboxylate
CID 735624
(2-oxochromen-7-yl) 5,6,7,8-tetrahydronaphthalene-2-carboxylate
CID 9192899

Frequently Asked Questions

What is the IUPAC name of (2-oxochromen-7-yl) morpholine-4-carboxylate?
The IUPAC name of (2-oxochromen-7-yl) morpholine-4-carboxylate (CID 847634) is (2-oxochromen-7-yl) morpholine-4-carboxylate.
What is the SMILES notation for (2-oxochromen-7-yl) morpholine-4-carboxylate?
The canonical SMILES for (2-oxochromen-7-yl) morpholine-4-carboxylate is O=C(Oc1ccc2ccc(=O)oc2c1)N1CCOCC1.
What is the InChIKey of (2-oxochromen-7-yl) morpholine-4-carboxylate?
The InChIKey is RVTNPEHZVAYPOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO5/c16-13-4-2-10-1-3-11(9-12(10)20-13)19-14(17)15-5-7-18-8-6-15/h1-4,9H,5-8H2.
What are the key properties of (2-oxochromen-7-yl) morpholine-4-carboxylate?
(2-oxochromen-7-yl) morpholine-4-carboxylate has a molecular weight of 275.26 g/mol, XLogP of 1.62, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxochromen-7-yl) morpholine-4-carboxylate is sourced from PubChem (CID 847634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).