4-morpholin-4-yl-3-(pyrrolidin-1-ylmethyl)chromen-2-one

C18H22N2O3 — CID 3341245

IUPAC4-morpholin-4-yl-3-(pyrrolidin-1-ylmethyl)chromen-2-one
SMILESO=c1oc2ccccc2c(N2CCOCC2)c1CN1CCCC1
InChIInChI=1S/C18H22N2O3/c21-18-15(13-19-7-3-4-8-19)17(20-9-11-22-12-10-20)14-5-1-2-6-16(14)23-18/h1-2,5-6H,3-4,7-13H2
InChIKeyCGGKIDYOOQUPSI-UHFFFAOYSA-N
MW314.38 g/mol
LogP2.23
Rot. Bonds3

About 4-morpholin-4-yl-3-(pyrrolidin-1-ylmethyl)chromen-2-one

4-morpholin-4-yl-3-(pyrrolidin-1-ylmethyl)chromen-2-one (PubChem CID 3341245) has the molecular formula C18H22N2O3 and a molecular weight of 314.38 g/mol. Its IUPAC name is 4-morpholin-4-yl-3-(pyrrolidin-1-ylmethyl)chromen-2-one.

Molecular Properties

Compound Name4-morpholin-4-yl-3-(pyrrolidin-1-ylmethyl)chromen-2-one
PubChem CID3341245
Molecular FormulaC18H22N2O3
Molecular Weight314.38 g/mol
Exact Mass314.16
IUPAC Name4-morpholin-4-yl-3-(pyrrolidin-1-ylmethyl)chromen-2-one
SMILESO=c1oc2ccccc2c(N2CCOCC2)c1CN1CCCC1
InChIInChI=1S/C18H22N2O3/c21-18-15(13-19-7-3-4-8-19)17(20-9-11-22-12-10-20)14-5-1-2-6-16(14)23-18/h1-2,5-6H,3-4,7-13H2
InChIKeyCGGKIDYOOQUPSI-UHFFFAOYSA-N
XLogP2.23
TPSA45.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-morpholin-4-yl-3-(pyrrolidin-1-ylmethyl)chromen-2-one?
The IUPAC name of 4-morpholin-4-yl-3-(pyrrolidin-1-ylmethyl)chromen-2-one (CID 3341245) is 4-morpholin-4-yl-3-(pyrrolidin-1-ylmethyl)chromen-2-one.
What is the SMILES notation for 4-morpholin-4-yl-3-(pyrrolidin-1-ylmethyl)chromen-2-one?
The canonical SMILES for 4-morpholin-4-yl-3-(pyrrolidin-1-ylmethyl)chromen-2-one is O=c1oc2ccccc2c(N2CCOCC2)c1CN1CCCC1.
What is the InChIKey of 4-morpholin-4-yl-3-(pyrrolidin-1-ylmethyl)chromen-2-one?
The InChIKey is CGGKIDYOOQUPSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3/c21-18-15(13-19-7-3-4-8-19)17(20-9-11-22-12-10-20)14-5-1-2-6-16(14)23-18/h1-2,5-6H,3-4,7-13H2.
What are the key properties of 4-morpholin-4-yl-3-(pyrrolidin-1-ylmethyl)chromen-2-one?
4-morpholin-4-yl-3-(pyrrolidin-1-ylmethyl)chromen-2-one has a molecular weight of 314.38 g/mol, XLogP of 2.23, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-morpholin-4-yl-3-(pyrrolidin-1-ylmethyl)chromen-2-one is sourced from PubChem (CID 3341245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).