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

C21H19NO4 — CID 110740953

IUPAC3-(2-benzylmorpholine-4-carbonyl)chromen-2-one
SMILESO=C(c1cc2ccccc2oc1=O)N1CCOC(Cc2ccccc2)C1
InChIInChI=1S/C21H19NO4/c23-20(18-13-16-8-4-5-9-19(16)26-21(18)24)22-10-11-25-17(14-22)12-15-6-2-1-3-7-15/h1-9,13,17H,10-12,14H2
InChIKeyGHHCZWYLDNBUKK-UHFFFAOYSA-N
MW349.39 g/mol
LogP2.88
Rot. Bonds3

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

3-(2-benzylmorpholine-4-carbonyl)chromen-2-one (PubChem CID 110740953) has the molecular formula C21H19NO4 and a molecular weight of 349.39 g/mol. Its IUPAC name is 3-(2-benzylmorpholine-4-carbonyl)chromen-2-one.

Molecular Properties

Compound Name3-(2-benzylmorpholine-4-carbonyl)chromen-2-one
PubChem CID110740953
Molecular FormulaC21H19NO4
Molecular Weight349.39 g/mol
Exact Mass349.13
IUPAC Name3-(2-benzylmorpholine-4-carbonyl)chromen-2-one
SMILESO=C(c1cc2ccccc2oc1=O)N1CCOC(Cc2ccccc2)C1
InChIInChI=1S/C21H19NO4/c23-20(18-13-16-8-4-5-9-19(16)26-21(18)24)22-10-11-25-17(14-22)12-15-6-2-1-3-7-15/h1-9,13,17H,10-12,14H2
InChIKeyGHHCZWYLDNBUKK-UHFFFAOYSA-N
XLogP2.88
TPSA59.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 52.88
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-phenylmorpholine-4-carbonyl)chromen-2-one
CID 16894693
1-benzofuran-2-yl-[2-(hydroxymethyl)morpholin-4-yl]methanone
CID 81208517
3-[3-(hydroxymethyl)pyrrolidine-1-carbonyl]chromen-2-one
CID 62372877
1-benzofuran-2-yl-[2-(chloromethyl)morpholin-4-yl]methanone
CID 81210335
3-[4-[2-(1,3-dioxolan-2-yl)ethyl]piperazine-1-carbonyl]chromen-2-one
CID 171911816
3-[(3S)-3-(2-methylphenyl)pyrrolidine-1-carbonyl]chromen-2-one
CID 95596933
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
[(2S)-2-benzylmorpholin-4-yl]-(2-methyl-3-pyridinyl)methanone
CID 42515870
(5-aminopyrazolo[1,5-a]pyridin-3-yl)-(2-benzylmorpholin-4-yl)methanone
CID 154785720
1,3-benzodioxol-5-yl-(2-benzylmorpholin-4-yl)methanone
CID 110643907
N-[(4-methylmorpholin-2-yl)methyl]-2-oxochromene-3-carboxamide
CID 49094694

Frequently Asked Questions

What is the IUPAC name of 3-(2-benzylmorpholine-4-carbonyl)chromen-2-one?
The IUPAC name of 3-(2-benzylmorpholine-4-carbonyl)chromen-2-one (CID 110740953) is 3-(2-benzylmorpholine-4-carbonyl)chromen-2-one.
What is the SMILES notation for 3-(2-benzylmorpholine-4-carbonyl)chromen-2-one?
The canonical SMILES for 3-(2-benzylmorpholine-4-carbonyl)chromen-2-one is O=C(c1cc2ccccc2oc1=O)N1CCOC(Cc2ccccc2)C1.
What is the InChIKey of 3-(2-benzylmorpholine-4-carbonyl)chromen-2-one?
The InChIKey is GHHCZWYLDNBUKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19NO4/c23-20(18-13-16-8-4-5-9-19(16)26-21(18)24)22-10-11-25-17(14-22)12-15-6-2-1-3-7-15/h1-9,13,17H,10-12,14H2.
What are the key properties of 3-(2-benzylmorpholine-4-carbonyl)chromen-2-one?
3-(2-benzylmorpholine-4-carbonyl)chromen-2-one has a molecular weight of 349.39 g/mol, XLogP of 2.88, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-benzylmorpholine-4-carbonyl)chromen-2-one is sourced from PubChem (CID 110740953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).