6,7-dimethoxyspiro[2,4-dihydro-1H-naphthalene-3,5'-morpholine]-3'-one

C15H19NO4 — CID 19045604

IUPAC6,7-dimethoxyspiro[2,4-dihydro-1H-naphthalene-3,5'-morpholine]-3'-one
SMILESCOc1cc2c(cc1OC)CC1(CC2)COCC(=O)N1
InChIInChI=1S/C15H19NO4/c1-18-12-5-10-3-4-15(9-20-8-14(17)16-15)7-11(10)6-13(12)19-2/h5-6H,3-4,7-9H2,1-2H3,(H,16,17)
InChIKeyZXYUCDUCJFDQIR-UHFFFAOYSA-N
MW277.32 g/mol
LogP1.08
Rot. Bonds2

About 6,7-dimethoxyspiro[2,4-dihydro-1H-naphthalene-3,5'-morpholine]-3'-one

6,7-dimethoxyspiro[2,4-dihydro-1H-naphthalene-3,5'-morpholine]-3'-one (PubChem CID 19045604) has the molecular formula C15H19NO4 and a molecular weight of 277.32 g/mol. Its IUPAC name is 6,7-dimethoxyspiro[2,4-dihydro-1H-naphthalene-3,5'-morpholine]-3'-one.

Molecular Properties

Compound Name6,7-dimethoxyspiro[2,4-dihydro-1H-naphthalene-3,5'-morpholine]-3'-one
PubChem CID19045604
Molecular FormulaC15H19NO4
Molecular Weight277.32 g/mol
Exact Mass277.13
IUPAC Name6,7-dimethoxyspiro[2,4-dihydro-1H-naphthalene-3,5'-morpholine]-3'-one
SMILESCOc1cc2c(cc1OC)CC1(CC2)COCC(=O)N1
InChIInChI=1S/C15H19NO4/c1-18-12-5-10-3-4-15(9-20-8-14(17)16-15)7-11(10)6-13(12)19-2/h5-6H,3-4,7-9H2,1-2H3,(H,16,17)
InChIKeyZXYUCDUCJFDQIR-UHFFFAOYSA-N
XLogP1.08
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxyspiro[2,4-dihydro-1H-naphthalene-3,5'-morpholine]-3'-one?
The IUPAC name of 6,7-dimethoxyspiro[2,4-dihydro-1H-naphthalene-3,5'-morpholine]-3'-one (CID 19045604) is 6,7-dimethoxyspiro[2,4-dihydro-1H-naphthalene-3,5'-morpholine]-3'-one.
What is the SMILES notation for 6,7-dimethoxyspiro[2,4-dihydro-1H-naphthalene-3,5'-morpholine]-3'-one?
The canonical SMILES for 6,7-dimethoxyspiro[2,4-dihydro-1H-naphthalene-3,5'-morpholine]-3'-one is COc1cc2c(cc1OC)CC1(CC2)COCC(=O)N1.
What is the InChIKey of 6,7-dimethoxyspiro[2,4-dihydro-1H-naphthalene-3,5'-morpholine]-3'-one?
The InChIKey is ZXYUCDUCJFDQIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO4/c1-18-12-5-10-3-4-15(9-20-8-14(17)16-15)7-11(10)6-13(12)19-2/h5-6H,3-4,7-9H2,1-2H3,(H,16,17).
What are the key properties of 6,7-dimethoxyspiro[2,4-dihydro-1H-naphthalene-3,5'-morpholine]-3'-one?
6,7-dimethoxyspiro[2,4-dihydro-1H-naphthalene-3,5'-morpholine]-3'-one has a molecular weight of 277.32 g/mol, XLogP of 1.08, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxyspiro[2,4-dihydro-1H-naphthalene-3,5'-morpholine]-3'-one is sourced from PubChem (CID 19045604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).