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

C16H19NO3 — CID 2121918

IUPAC7-ethyl-4-(morpholin-4-ylmethyl)chromen-2-one
SMILESCCc1ccc2c(CN3CCOCC3)cc(=O)oc2c1
InChIInChI=1S/C16H19NO3/c1-2-12-3-4-14-13(10-16(18)20-15(14)9-12)11-17-5-7-19-8-6-17/h3-4,9-10H,2,5-8,11H2,1H3
InChIKeyZFGXEEJIEQXRGT-UHFFFAOYSA-N
MW273.33 g/mol
LogP2.19
Rot. Bonds3

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

7-ethyl-4-(morpholin-4-ylmethyl)chromen-2-one (PubChem CID 2121918) has the molecular formula C16H19NO3 and a molecular weight of 273.33 g/mol. Its IUPAC name is 7-ethyl-4-(morpholin-4-ylmethyl)chromen-2-one.

Molecular Properties

Compound Name7-ethyl-4-(morpholin-4-ylmethyl)chromen-2-one
PubChem CID2121918
Molecular FormulaC16H19NO3
Molecular Weight273.33 g/mol
Exact Mass273.14
IUPAC Name7-ethyl-4-(morpholin-4-ylmethyl)chromen-2-one
SMILESCCc1ccc2c(CN3CCOCC3)cc(=O)oc2c1
InChIInChI=1S/C16H19NO3/c1-2-12-3-4-14-13(10-16(18)20-15(14)9-12)11-17-5-7-19-8-6-17/h3-4,9-10H,2,5-8,11H2,1H3
InChIKeyZFGXEEJIEQXRGT-UHFFFAOYSA-N
XLogP2.19
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Moxisylyte
CID 4260
Fomocaine
CID 71693
4-Morpholin-4-yl-chromen-2-one
CID 804048
2H-1-Benzopyran-2-one, 4-methyl-7-(2-(1-piperidinyl)ethoxy)-
CID 915272
8-Methyl-4-morpholin-4-yl-chromen-2-one
CID 10857738
6-methoxy-4-morpholino-2H-chromen-2-one
CID 11196279
7,8-Dimethyl-4-(morpholin-4-ylmethyl)chromen-2-one
CID 941339
6-Hydroxy-7-methyl-4-(morpholin-4-ylmethyl)chromen-2-one
CID 941988
1-[(4-Methylpiperidin-1-yl)methyl]benzo[f]chromen-3-one
CID 942589
4-[[Benzyl(methyl)amino]methyl]-7,8-dimethylchromen-2-one
CID 943563
5,7-Dimethyl-4-(morpholin-4-ylmethyl)chromen-2-one
CID 943831
4-[(4-benzylpiperazin-1-yl)methyl]-7-methyl-2H-chromen-2-one
CID 944284

Frequently Asked Questions

What is the IUPAC name of 7-ethyl-4-(morpholin-4-ylmethyl)chromen-2-one?
The IUPAC name of 7-ethyl-4-(morpholin-4-ylmethyl)chromen-2-one (CID 2121918) is 7-ethyl-4-(morpholin-4-ylmethyl)chromen-2-one.
What is the SMILES notation for 7-ethyl-4-(morpholin-4-ylmethyl)chromen-2-one?
The canonical SMILES for 7-ethyl-4-(morpholin-4-ylmethyl)chromen-2-one is CCc1ccc2c(CN3CCOCC3)cc(=O)oc2c1.
What is the InChIKey of 7-ethyl-4-(morpholin-4-ylmethyl)chromen-2-one?
The InChIKey is ZFGXEEJIEQXRGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3/c1-2-12-3-4-14-13(10-16(18)20-15(14)9-12)11-17-5-7-19-8-6-17/h3-4,9-10H,2,5-8,11H2,1H3.
What are the key properties of 7-ethyl-4-(morpholin-4-ylmethyl)chromen-2-one?
7-ethyl-4-(morpholin-4-ylmethyl)chromen-2-one has a molecular weight of 273.33 g/mol, XLogP of 2.19, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-4-(morpholin-4-ylmethyl)chromen-2-one is sourced from PubChem (CID 2121918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).