1-morpholin-4-ylbenzo[f]chromen-3-one

C17H15NO3 — CID 11277489

IUPAC1-morpholin-4-ylbenzo[f]chromen-3-one
SMILESO=c1cc(N2CCOCC2)c2c(ccc3ccccc32)o1
InChIInChI=1S/C17H15NO3/c19-16-11-14(18-7-9-20-10-8-18)17-13-4-2-1-3-12(13)5-6-15(17)21-16/h1-6,11H,7-10H2
InChIKeyBYCFTTKUJHROAO-UHFFFAOYSA-N
MW281.31 g/mol
LogP2.78
Rot. Bonds1

About 1-morpholin-4-ylbenzo[f]chromen-3-one

1-morpholin-4-ylbenzo[f]chromen-3-one (PubChem CID 11277489) has the molecular formula C17H15NO3 and a molecular weight of 281.31 g/mol. Its IUPAC name is 1-morpholin-4-ylbenzo[f]chromen-3-one.

Molecular Properties

Compound Name1-morpholin-4-ylbenzo[f]chromen-3-one
PubChem CID11277489
Molecular FormulaC17H15NO3
Molecular Weight281.31 g/mol
Exact Mass281.11
IUPAC Name1-morpholin-4-ylbenzo[f]chromen-3-one
SMILESO=c1cc(N2CCOCC2)c2c(ccc3ccccc32)o1
InChIInChI=1S/C17H15NO3/c19-16-11-14(18-7-9-20-10-8-18)17-13-4-2-1-3-12(13)5-6-15(17)21-16/h1-6,11H,7-10H2
InChIKeyBYCFTTKUJHROAO-UHFFFAOYSA-N
XLogP2.78
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-morpholin-4-ylbenzo[f]chromen-3-one?
The IUPAC name of 1-morpholin-4-ylbenzo[f]chromen-3-one (CID 11277489) is 1-morpholin-4-ylbenzo[f]chromen-3-one.
What is the SMILES notation for 1-morpholin-4-ylbenzo[f]chromen-3-one?
The canonical SMILES for 1-morpholin-4-ylbenzo[f]chromen-3-one is O=c1cc(N2CCOCC2)c2c(ccc3ccccc32)o1.
What is the InChIKey of 1-morpholin-4-ylbenzo[f]chromen-3-one?
The InChIKey is BYCFTTKUJHROAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO3/c19-16-11-14(18-7-9-20-10-8-18)17-13-4-2-1-3-12(13)5-6-15(17)21-16/h1-6,11H,7-10H2.
What are the key properties of 1-morpholin-4-ylbenzo[f]chromen-3-one?
1-morpholin-4-ylbenzo[f]chromen-3-one has a molecular weight of 281.31 g/mol, XLogP of 2.78, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-morpholin-4-ylbenzo[f]chromen-3-one is sourced from PubChem (CID 11277489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).