1-morpholin-4-yl-1-(phenylhydrazinylidene)propan-2-one

C13H17N3O2 — CID 830610

IUPAC1-morpholin-4-yl-1-(phenylhydrazinylidene)propan-2-one
SMILESCC(=O)C(=NNc1ccccc1)N1CCOCC1
InChIInChI=1S/C13H17N3O2/c1-11(17)13(16-7-9-18-10-8-16)15-14-12-5-3-2-4-6-12/h2-6,14H,7-10H2,1H3
InChIKeyGHDJXVBWCCHMGU-UHFFFAOYSA-N
MW247.30 g/mol
LogP1.33
Rot. Bonds3

About 1-morpholin-4-yl-1-(phenylhydrazinylidene)propan-2-one

1-morpholin-4-yl-1-(phenylhydrazinylidene)propan-2-one (PubChem CID 830610) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is 1-morpholin-4-yl-1-(phenylhydrazinylidene)propan-2-one.

Molecular Properties

Compound Name1-morpholin-4-yl-1-(phenylhydrazinylidene)propan-2-one
PubChem CID830610
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name1-morpholin-4-yl-1-(phenylhydrazinylidene)propan-2-one
SMILESCC(=O)C(=NNc1ccccc1)N1CCOCC1
InChIInChI=1S/C13H17N3O2/c1-11(17)13(16-7-9-18-10-8-16)15-14-12-5-3-2-4-6-12/h2-6,14H,7-10H2,1H3
InChIKeyGHDJXVBWCCHMGU-UHFFFAOYSA-N
XLogP1.33
TPSA53.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 51.33
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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Related Compounds

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CID 56642821
CID 56642853
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CID 5344337
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CID 5665987
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CID 6401038
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CID 6419199
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CID 56642880
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CID 5410497
CID 5410497

Frequently Asked Questions

What is the IUPAC name of 1-morpholin-4-yl-1-(phenylhydrazinylidene)propan-2-one?
The IUPAC name of 1-morpholin-4-yl-1-(phenylhydrazinylidene)propan-2-one (CID 830610) is 1-morpholin-4-yl-1-(phenylhydrazinylidene)propan-2-one.
What is the SMILES notation for 1-morpholin-4-yl-1-(phenylhydrazinylidene)propan-2-one?
The canonical SMILES for 1-morpholin-4-yl-1-(phenylhydrazinylidene)propan-2-one is CC(=O)C(=NNc1ccccc1)N1CCOCC1.
What is the InChIKey of 1-morpholin-4-yl-1-(phenylhydrazinylidene)propan-2-one?
The InChIKey is GHDJXVBWCCHMGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-11(17)13(16-7-9-18-10-8-16)15-14-12-5-3-2-4-6-12/h2-6,14H,7-10H2,1H3.
What are the key properties of 1-morpholin-4-yl-1-(phenylhydrazinylidene)propan-2-one?
1-morpholin-4-yl-1-(phenylhydrazinylidene)propan-2-one has a molecular weight of 247.30 g/mol, XLogP of 1.33, 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-(phenylhydrazinylidene)propan-2-one is sourced from PubChem (CID 830610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).