6-morpholin-4-ylnaphthalene-2,3-dicarbonitrile

C16H13N3O — CID 784670

IUPAC6-morpholin-4-ylnaphthalene-2,3-dicarbonitrile
SMILESN#Cc1cc2ccc(N3CCOCC3)cc2cc1C#N
InChIInChI=1S/C16H13N3O/c17-10-14-7-12-1-2-16(19-3-5-20-6-4-19)9-13(12)8-15(14)11-18/h1-2,7-9H,3-6H2
InChIKeyMNPHKJOTGDBSIR-UHFFFAOYSA-N
MW263.30 g/mol
LogP2.42
Rot. Bonds1

About 6-morpholin-4-ylnaphthalene-2,3-dicarbonitrile

6-morpholin-4-ylnaphthalene-2,3-dicarbonitrile (PubChem CID 784670) has the molecular formula C16H13N3O and a molecular weight of 263.30 g/mol. Its IUPAC name is 6-morpholin-4-ylnaphthalene-2,3-dicarbonitrile.

Molecular Properties

Compound Name6-morpholin-4-ylnaphthalene-2,3-dicarbonitrile
PubChem CID784670
Molecular FormulaC16H13N3O
Molecular Weight263.30 g/mol
Exact Mass263.11
IUPAC Name6-morpholin-4-ylnaphthalene-2,3-dicarbonitrile
SMILESN#Cc1cc2ccc(N3CCOCC3)cc2cc1C#N
InChIInChI=1S/C16H13N3O/c17-10-14-7-12-1-2-16(19-3-5-20-6-4-19)9-13(12)8-15(14)11-18/h1-2,7-9H,3-6H2
InChIKeyMNPHKJOTGDBSIR-UHFFFAOYSA-N
XLogP2.42
TPSA60.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-morpholin-4-ylnaphthalene-2,3-dicarbonitrile?
The IUPAC name of 6-morpholin-4-ylnaphthalene-2,3-dicarbonitrile (CID 784670) is 6-morpholin-4-ylnaphthalene-2,3-dicarbonitrile.
What is the SMILES notation for 6-morpholin-4-ylnaphthalene-2,3-dicarbonitrile?
The canonical SMILES for 6-morpholin-4-ylnaphthalene-2,3-dicarbonitrile is N#Cc1cc2ccc(N3CCOCC3)cc2cc1C#N.
What is the InChIKey of 6-morpholin-4-ylnaphthalene-2,3-dicarbonitrile?
The InChIKey is MNPHKJOTGDBSIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O/c17-10-14-7-12-1-2-16(19-3-5-20-6-4-19)9-13(12)8-15(14)11-18/h1-2,7-9H,3-6H2.
What are the key properties of 6-morpholin-4-ylnaphthalene-2,3-dicarbonitrile?
6-morpholin-4-ylnaphthalene-2,3-dicarbonitrile has a molecular weight of 263.30 g/mol, XLogP of 2.42, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-morpholin-4-ylnaphthalene-2,3-dicarbonitrile is sourced from PubChem (CID 784670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).