1-morpholin-4-yl-1-(naphthalen-1-ylhydrazinylidene)propan-2-one

C17H19N3O2 — CID 172879251

IUPAC1-morpholin-4-yl-1-(naphthalen-1-ylhydrazinylidene)propan-2-one
SMILESCC(=O)C(=NNc1cccc2ccccc12)N1CCOCC1
InChIInChI=1S/C17H19N3O2/c1-13(21)17(20-9-11-22-12-10-20)19-18-16-8-4-6-14-5-2-3-7-15(14)16/h2-8,18H,9-12H2,1H3
InChIKeyBSHYPGCCSPYSIF-UHFFFAOYSA-N
MW297.36 g/mol
LogP2.49
Rot. Bonds3

About 1-morpholin-4-yl-1-(naphthalen-1-ylhydrazinylidene)propan-2-one

1-morpholin-4-yl-1-(naphthalen-1-ylhydrazinylidene)propan-2-one (PubChem CID 172879251) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is 1-morpholin-4-yl-1-(naphthalen-1-ylhydrazinylidene)propan-2-one.

Molecular Properties

Compound Name1-morpholin-4-yl-1-(naphthalen-1-ylhydrazinylidene)propan-2-one
PubChem CID172879251
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC Name1-morpholin-4-yl-1-(naphthalen-1-ylhydrazinylidene)propan-2-one
SMILESCC(=O)C(=NNc1cccc2ccccc12)N1CCOCC1
InChIInChI=1S/C17H19N3O2/c1-13(21)17(20-9-11-22-12-10-20)19-18-16-8-4-6-14-5-2-3-7-15(14)16/h2-8,18H,9-12H2,1H3
InChIKeyBSHYPGCCSPYSIF-UHFFFAOYSA-N
XLogP2.49
TPSA53.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-morpholin-4-yl-1-(naphthalen-1-ylhydrazinylidene)propan-2-one?
The IUPAC name of 1-morpholin-4-yl-1-(naphthalen-1-ylhydrazinylidene)propan-2-one (CID 172879251) is 1-morpholin-4-yl-1-(naphthalen-1-ylhydrazinylidene)propan-2-one.
What is the SMILES notation for 1-morpholin-4-yl-1-(naphthalen-1-ylhydrazinylidene)propan-2-one?
The canonical SMILES for 1-morpholin-4-yl-1-(naphthalen-1-ylhydrazinylidene)propan-2-one is CC(=O)C(=NNc1cccc2ccccc12)N1CCOCC1.
What is the InChIKey of 1-morpholin-4-yl-1-(naphthalen-1-ylhydrazinylidene)propan-2-one?
The InChIKey is BSHYPGCCSPYSIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2/c1-13(21)17(20-9-11-22-12-10-20)19-18-16-8-4-6-14-5-2-3-7-15(14)16/h2-8,18H,9-12H2,1H3.
What are the key properties of 1-morpholin-4-yl-1-(naphthalen-1-ylhydrazinylidene)propan-2-one?
1-morpholin-4-yl-1-(naphthalen-1-ylhydrazinylidene)propan-2-one has a molecular weight of 297.36 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-morpholin-4-yl-1-(naphthalen-1-ylhydrazinylidene)propan-2-one is sourced from PubChem (CID 172879251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).