3-(morpholine-4-carbonyl)-8-prop-2-enylchromen-2-one

C17H17NO4 — CID 1108244

IUPAC3-(morpholine-4-carbonyl)-8-prop-2-enylchromen-2-one
SMILESC=CCc1cccc2cc(C(=O)N3CCOCC3)c(=O)oc12
InChIInChI=1S/C17H17NO4/c1-2-4-12-5-3-6-13-11-14(17(20)22-15(12)13)16(19)18-7-9-21-10-8-18/h2-3,5-6,11H,1,4,7-10H2
InChIKeyLCCVRDSRGMYLDK-UHFFFAOYSA-N
MW299.33 g/mol
LogP1.99
Rot. Bonds3

About 3-(morpholine-4-carbonyl)-8-prop-2-enylchromen-2-one

3-(morpholine-4-carbonyl)-8-prop-2-enylchromen-2-one (PubChem CID 1108244) has the molecular formula C17H17NO4 and a molecular weight of 299.33 g/mol. Its IUPAC name is 3-(morpholine-4-carbonyl)-8-prop-2-enylchromen-2-one.

Molecular Properties

Compound Name3-(morpholine-4-carbonyl)-8-prop-2-enylchromen-2-one
PubChem CID1108244
Molecular FormulaC17H17NO4
Molecular Weight299.33 g/mol
Exact Mass299.12
IUPAC Name3-(morpholine-4-carbonyl)-8-prop-2-enylchromen-2-one
SMILESC=CCc1cccc2cc(C(=O)N3CCOCC3)c(=O)oc12
InChIInChI=1S/C17H17NO4/c1-2-4-12-5-3-6-13-11-14(17(20)22-15(12)13)16(19)18-7-9-21-10-8-18/h2-3,5-6,11H,1,4,7-10H2
InChIKeyLCCVRDSRGMYLDK-UHFFFAOYSA-N
XLogP1.99
TPSA59.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(morpholine-4-carbonyl)-8-prop-2-enylchromen-2-one?
The IUPAC name of 3-(morpholine-4-carbonyl)-8-prop-2-enylchromen-2-one (CID 1108244) is 3-(morpholine-4-carbonyl)-8-prop-2-enylchromen-2-one.
What is the SMILES notation for 3-(morpholine-4-carbonyl)-8-prop-2-enylchromen-2-one?
The canonical SMILES for 3-(morpholine-4-carbonyl)-8-prop-2-enylchromen-2-one is C=CCc1cccc2cc(C(=O)N3CCOCC3)c(=O)oc12.
What is the InChIKey of 3-(morpholine-4-carbonyl)-8-prop-2-enylchromen-2-one?
The InChIKey is LCCVRDSRGMYLDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO4/c1-2-4-12-5-3-6-13-11-14(17(20)22-15(12)13)16(19)18-7-9-21-10-8-18/h2-3,5-6,11H,1,4,7-10H2.
What are the key properties of 3-(morpholine-4-carbonyl)-8-prop-2-enylchromen-2-one?
3-(morpholine-4-carbonyl)-8-prop-2-enylchromen-2-one has a molecular weight of 299.33 g/mol, XLogP of 1.99, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(morpholine-4-carbonyl)-8-prop-2-enylchromen-2-one is sourced from PubChem (CID 1108244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).