potassium;(E)-1-isocyano-2-methoxyethene;methane;2-methylpropan-2-olate;phenylhydrazine;1-phenylpyrazol-3-amine;phosphane

C24H38KN6O2P — CID 165091086

IUPACpotassium;(E)-1-isocyano-2-methoxyethene;methane;2-methylpropan-2-olate;phenylhydrazine;1-phenylpyrazol-3-amine;phosphane
SMILESC.CC(C)(C)[O-].NNc1ccccc1.Nc1ccn(-c2ccccc2)n1.P.[C-]#[N+]/C=C/OC.[K+]
InChIInChI=1S/C9H9N3.C6H8N2.C4H5NO.C4H9O.CH4.K.H3P/c10-9-6-7-12(11-9)8-4-2-1-3-5-8;7-8-6-4-2-1-3-5-6;1-5-3-4-6-2;1-4(2,3)5;;;/h1-7H,(H2,10,11);1-5,8H,7H2;3-4H,2H3;1-3H3;1H4;;1H3/q;;;-1;;+1;/b;;4-3+;;;;
InChIKeyWSHHXQZFNMPZKM-FSMVFUEESA-N
MW512.68 g/mol
LogP1.29
Rot. Bonds3

About potassium;(E)-1-isocyano-2-methoxyethene;methane;2-methylpropan-2-olate;phenylhydrazine;1-phenylpyrazol-3-amine;phosphane

potassium;(E)-1-isocyano-2-methoxyethene;methane;2-methylpropan-2-olate;phenylhydrazine;1-phenylpyrazol-3-amine;phosphane (PubChem CID 165091086) has the molecular formula C24H38KN6O2P and a molecular weight of 512.68 g/mol. Its IUPAC name is potassium;(E)-1-isocyano-2-methoxyethene;methane;2-methylpropan-2-olate;phenylhydrazine;1-phenylpyrazol-3-amine;phosphane.

Molecular Properties

Compound Namepotassium;(E)-1-isocyano-2-methoxyethene;methane;2-methylpropan-2-olate;phenylhydrazine;1-phenylpyrazol-3-amine;phosphane
PubChem CID165091086
Molecular FormulaC24H38KN6O2P
Molecular Weight512.68 g/mol
Exact Mass512.24
IUPAC Namepotassium;(E)-1-isocyano-2-methoxyethene;methane;2-methylpropan-2-olate;phenylhydrazine;1-phenylpyrazol-3-amine;phosphane
SMILESC.CC(C)(C)[O-].NNc1ccccc1.Nc1ccn(-c2ccccc2)n1.P.[C-]#[N+]/C=C/OC.[K+]
InChIInChI=1S/C9H9N3.C6H8N2.C4H5NO.C4H9O.CH4.K.H3P/c10-9-6-7-12(11-9)8-4-2-1-3-5-8;7-8-6-4-2-1-3-5-6;1-5-3-4-6-2;1-4(2,3)5;;;/h1-7H,(H2,10,11);1-5,8H,7H2;3-4H,2H3;1-3H3;1H4;;1H3/q;;;-1;;+1;/b;;4-3+;;;;
InChIKeyWSHHXQZFNMPZKM-FSMVFUEESA-N
XLogP1.29
TPSA118.54 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500512.68
LogP ≤ 51.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of potassium;(E)-1-isocyano-2-methoxyethene;methane;2-methylpropan-2-olate;phenylhydrazine;1-phenylpyrazol-3-amine;phosphane?
The IUPAC name of potassium;(E)-1-isocyano-2-methoxyethene;methane;2-methylpropan-2-olate;phenylhydrazine;1-phenylpyrazol-3-amine;phosphane (CID 165091086) is potassium;(E)-1-isocyano-2-methoxyethene;methane;2-methylpropan-2-olate;phenylhydrazine;1-phenylpyrazol-3-amine;phosphane.
What is the SMILES notation for potassium;(E)-1-isocyano-2-methoxyethene;methane;2-methylpropan-2-olate;phenylhydrazine;1-phenylpyrazol-3-amine;phosphane?
The canonical SMILES for potassium;(E)-1-isocyano-2-methoxyethene;methane;2-methylpropan-2-olate;phenylhydrazine;1-phenylpyrazol-3-amine;phosphane is C.CC(C)(C)[O-].NNc1ccccc1.Nc1ccn(-c2ccccc2)n1.P.[C-]#[N+]/C=C/OC.[K+].
What is the InChIKey of potassium;(E)-1-isocyano-2-methoxyethene;methane;2-methylpropan-2-olate;phenylhydrazine;1-phenylpyrazol-3-amine;phosphane?
The InChIKey is WSHHXQZFNMPZKM-FSMVFUEESA-N. The full InChI is InChI=1S/C9H9N3.C6H8N2.C4H5NO.C4H9O.CH4.K.H3P/c10-9-6-7-12(11-9)8-4-2-1-3-5-8;7-8-6-4-2-1-3-5-6;1-5-3-4-6-2;1-4(2,3)5;;;/h1-7H,(H2,10,11);1-5,8H,7H2;3-4H,2H3;1-3H3;1H4;;1H3/q;;;-1;;+1;/b;;4-3+;;;;.
What are the key properties of potassium;(E)-1-isocyano-2-methoxyethene;methane;2-methylpropan-2-olate;phenylhydrazine;1-phenylpyrazol-3-amine;phosphane?
potassium;(E)-1-isocyano-2-methoxyethene;methane;2-methylpropan-2-olate;phenylhydrazine;1-phenylpyrazol-3-amine;phosphane has a molecular weight of 512.68 g/mol, XLogP of 1.29, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;(E)-1-isocyano-2-methoxyethene;methane;2-methylpropan-2-olate;phenylhydrazine;1-phenylpyrazol-3-amine;phosphane is sourced from PubChem (CID 165091086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).