3,4-dihydro-2H-chromen-8-yl-(4-propylmorpholin-2-yl)methanone

C17H23NO3 — CID 114744267

IUPAC3,4-dihydro-2H-chromen-8-yl-(4-propylmorpholin-2-yl)methanone
SMILESCCCN1CCOC(C(=O)c2cccc3c2OCCC3)C1
InChIInChI=1S/C17H23NO3/c1-2-8-18-9-11-20-15(12-18)16(19)14-7-3-5-13-6-4-10-21-17(13)14/h3,5,7,15H,2,4,6,8-12H2,1H3
InChIKeyIRSDEFHAUAUKLR-UHFFFAOYSA-N
MW289.37 g/mol
LogP2.31
Rot. Bonds4

About 3,4-dihydro-2H-chromen-8-yl-(4-propylmorpholin-2-yl)methanone

3,4-dihydro-2H-chromen-8-yl-(4-propylmorpholin-2-yl)methanone (PubChem CID 114744267) has the molecular formula C17H23NO3 and a molecular weight of 289.37 g/mol. Its IUPAC name is 3,4-dihydro-2H-chromen-8-yl-(4-propylmorpholin-2-yl)methanone.

Molecular Properties

Compound Name3,4-dihydro-2H-chromen-8-yl-(4-propylmorpholin-2-yl)methanone
PubChem CID114744267
Molecular FormulaC17H23NO3
Molecular Weight289.37 g/mol
Exact Mass289.17
IUPAC Name3,4-dihydro-2H-chromen-8-yl-(4-propylmorpholin-2-yl)methanone
SMILESCCCN1CCOC(C(=O)c2cccc3c2OCCC3)C1
InChIInChI=1S/C17H23NO3/c1-2-8-18-9-11-20-15(12-18)16(19)14-7-3-5-13-6-4-10-21-17(13)14/h3,5,7,15H,2,4,6,8-12H2,1H3
InChIKeyIRSDEFHAUAUKLR-UHFFFAOYSA-N
XLogP2.31
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.37
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-chromen-8-yl-(4-propylmorpholin-2-yl)methanone?
The IUPAC name of 3,4-dihydro-2H-chromen-8-yl-(4-propylmorpholin-2-yl)methanone (CID 114744267) is 3,4-dihydro-2H-chromen-8-yl-(4-propylmorpholin-2-yl)methanone.
What is the SMILES notation for 3,4-dihydro-2H-chromen-8-yl-(4-propylmorpholin-2-yl)methanone?
The canonical SMILES for 3,4-dihydro-2H-chromen-8-yl-(4-propylmorpholin-2-yl)methanone is CCCN1CCOC(C(=O)c2cccc3c2OCCC3)C1.
What is the InChIKey of 3,4-dihydro-2H-chromen-8-yl-(4-propylmorpholin-2-yl)methanone?
The InChIKey is IRSDEFHAUAUKLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO3/c1-2-8-18-9-11-20-15(12-18)16(19)14-7-3-5-13-6-4-10-21-17(13)14/h3,5,7,15H,2,4,6,8-12H2,1H3.
What are the key properties of 3,4-dihydro-2H-chromen-8-yl-(4-propylmorpholin-2-yl)methanone?
3,4-dihydro-2H-chromen-8-yl-(4-propylmorpholin-2-yl)methanone has a molecular weight of 289.37 g/mol, XLogP of 2.31, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-chromen-8-yl-(4-propylmorpholin-2-yl)methanone is sourced from PubChem (CID 114744267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).