4-methyl-7-(2-morpholin-4-yl-2-oxoethoxy)chromen-2-one

C16H17NO5 — CID 721294

IUPAC4-methyl-7-(2-morpholin-4-yl-2-oxoethoxy)chromen-2-one
SMILESCc1cc(=O)oc2cc(OCC(=O)N3CCOCC3)ccc12
InChIInChI=1S/C16H17NO5/c1-11-8-16(19)22-14-9-12(2-3-13(11)14)21-10-15(18)17-4-6-20-7-5-17/h2-3,8-9H,4-7,10H2,1H3
InChIKeyPASZMXVZZQQSNN-UHFFFAOYSA-N
MW303.31 g/mol
LogP1.34
Rot. Bonds3

About 4-methyl-7-(2-morpholin-4-yl-2-oxoethoxy)chromen-2-one

4-methyl-7-(2-morpholin-4-yl-2-oxoethoxy)chromen-2-one (PubChem CID 721294) has the molecular formula C16H17NO5 and a molecular weight of 303.31 g/mol. Its IUPAC name is 4-methyl-7-(2-morpholin-4-yl-2-oxoethoxy)chromen-2-one.

Molecular Properties

Compound Name4-methyl-7-(2-morpholin-4-yl-2-oxoethoxy)chromen-2-one
PubChem CID721294
Molecular FormulaC16H17NO5
Molecular Weight303.31 g/mol
Exact Mass303.11
IUPAC Name4-methyl-7-(2-morpholin-4-yl-2-oxoethoxy)chromen-2-one
SMILESCc1cc(=O)oc2cc(OCC(=O)N3CCOCC3)ccc12
InChIInChI=1S/C16H17NO5/c1-11-8-16(19)22-14-9-12(2-3-13(11)14)21-10-15(18)17-4-6-20-7-5-17/h2-3,8-9H,4-7,10H2,1H3
InChIKeyPASZMXVZZQQSNN-UHFFFAOYSA-N
XLogP1.34
TPSA68.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.31
LogP ≤ 51.34
H-Bond Donors ≤ 50
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 4-methyl-7-(2-morpholin-4-yl-2-oxoethoxy)chromen-2-one?
The IUPAC name of 4-methyl-7-(2-morpholin-4-yl-2-oxoethoxy)chromen-2-one (CID 721294) is 4-methyl-7-(2-morpholin-4-yl-2-oxoethoxy)chromen-2-one.
What is the SMILES notation for 4-methyl-7-(2-morpholin-4-yl-2-oxoethoxy)chromen-2-one?
The canonical SMILES for 4-methyl-7-(2-morpholin-4-yl-2-oxoethoxy)chromen-2-one is Cc1cc(=O)oc2cc(OCC(=O)N3CCOCC3)ccc12.
What is the InChIKey of 4-methyl-7-(2-morpholin-4-yl-2-oxoethoxy)chromen-2-one?
The InChIKey is PASZMXVZZQQSNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO5/c1-11-8-16(19)22-14-9-12(2-3-13(11)14)21-10-15(18)17-4-6-20-7-5-17/h2-3,8-9H,4-7,10H2,1H3.
What are the key properties of 4-methyl-7-(2-morpholin-4-yl-2-oxoethoxy)chromen-2-one?
4-methyl-7-(2-morpholin-4-yl-2-oxoethoxy)chromen-2-one has a molecular weight of 303.31 g/mol, XLogP of 1.34, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-7-(2-morpholin-4-yl-2-oxoethoxy)chromen-2-one is sourced from PubChem (CID 721294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).