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

C20H17NO4 — CID 16894693

IUPAC3-(2-phenylmorpholine-4-carbonyl)chromen-2-one
SMILESO=C(c1cc2ccccc2oc1=O)N1CCOC(c2ccccc2)C1
InChIInChI=1S/C20H17NO4/c22-19(16-12-15-8-4-5-9-17(15)25-20(16)23)21-10-11-24-18(13-21)14-6-2-1-3-7-14/h1-9,12,18H,10-11,13H2
InChIKeyWTYBEQOXLOPLIW-UHFFFAOYSA-N
MW335.36 g/mol
LogP3.01
Rot. Bonds2

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

3-(2-phenylmorpholine-4-carbonyl)chromen-2-one (PubChem CID 16894693) has the molecular formula C20H17NO4 and a molecular weight of 335.36 g/mol. Its IUPAC name is 3-(2-phenylmorpholine-4-carbonyl)chromen-2-one.

Molecular Properties

Compound Name3-(2-phenylmorpholine-4-carbonyl)chromen-2-one
PubChem CID16894693
Molecular FormulaC20H17NO4
Molecular Weight335.36 g/mol
Exact Mass335.12
IUPAC Name3-(2-phenylmorpholine-4-carbonyl)chromen-2-one
SMILESO=C(c1cc2ccccc2oc1=O)N1CCOC(c2ccccc2)C1
InChIInChI=1S/C20H17NO4/c22-19(16-12-15-8-4-5-9-17(15)25-20(16)23)21-10-11-24-18(13-21)14-6-2-1-3-7-14/h1-9,12,18H,10-11,13H2
InChIKeyWTYBEQOXLOPLIW-UHFFFAOYSA-N
XLogP3.01
TPSA59.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 53.01
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

3-(2-benzylmorpholine-4-carbonyl)chromen-2-one
CID 110740953
2-oxo-N-[3-(2-phenylmorpholin-4-yl)propyl]chromene-3-carboxamide
CID 16892536
3-[4-(2-oxochromene-3-carbonyl)-1,4-diazepane-1-carbonyl]chromen-2-one
CID 1224770
3-(azepane-1-carbonyl)chromen-2-one
CID 716526
3-[3-(hydroxymethyl)pyrrolidine-1-carbonyl]chromen-2-one
CID 62372877
3-[(3S)-3-(2-methylphenyl)pyrrolidine-1-carbonyl]chromen-2-one
CID 95596933
(2,4-dichlorophenyl)-[(2R)-2-phenylmorpholin-4-yl]methanone
CID 25281298
[2-(4-fluorophenyl)morpholin-4-yl]-(3-hydroxynaphthalen-2-yl)methanone
CID 47023687
3-(4-cyclopropylpiperazine-1-carbonyl)chromen-2-one
CID 86853717
3-[4-[2-(1,3-dioxolan-2-yl)ethyl]piperazine-1-carbonyl]chromen-2-one
CID 171911816
4-[(2R)-2-phenylmorpholine-4-carbonyl]-1H-quinolin-2-one
CID 31415081
2-oxochromene-3-carboxylic acid
CID 161011590

Frequently Asked Questions

What is the IUPAC name of 3-(2-phenylmorpholine-4-carbonyl)chromen-2-one?
The IUPAC name of 3-(2-phenylmorpholine-4-carbonyl)chromen-2-one (CID 16894693) is 3-(2-phenylmorpholine-4-carbonyl)chromen-2-one.
What is the SMILES notation for 3-(2-phenylmorpholine-4-carbonyl)chromen-2-one?
The canonical SMILES for 3-(2-phenylmorpholine-4-carbonyl)chromen-2-one is O=C(c1cc2ccccc2oc1=O)N1CCOC(c2ccccc2)C1.
What is the InChIKey of 3-(2-phenylmorpholine-4-carbonyl)chromen-2-one?
The InChIKey is WTYBEQOXLOPLIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17NO4/c22-19(16-12-15-8-4-5-9-17(15)25-20(16)23)21-10-11-24-18(13-21)14-6-2-1-3-7-14/h1-9,12,18H,10-11,13H2.
What are the key properties of 3-(2-phenylmorpholine-4-carbonyl)chromen-2-one?
3-(2-phenylmorpholine-4-carbonyl)chromen-2-one has a molecular weight of 335.36 g/mol, XLogP of 3.01, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-phenylmorpholine-4-carbonyl)chromen-2-one is sourced from PubChem (CID 16894693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).