(1E)-N-tritiophosphanidylethanimidate

C2H4NOP-2 — CID 59611333

IUPAC(1E)-N-tritiophosphanidylethanimidate
SMILES[3H][P-]/N=C(\C)[O-]
InChIInChI=1S/C2H5NOP/c1-2(4)3-5/h5H,1H3,(H,3,4)/q-1/p-1/i5T
InChIKeyPQAKVYDCWDJDMI-XHHURNKPSA-M
MW91.04 g/mol
LogP-0.18
Rot. Bonds1

About (1E)-N-tritiophosphanidylethanimidate

(1E)-N-tritiophosphanidylethanimidate (PubChem CID 59611333) has the molecular formula C2H4NOP-2 and a molecular weight of 91.04 g/mol. Its IUPAC name is (1E)-N-tritiophosphanidylethanimidate.

Molecular Properties

Compound Name(1E)-N-tritiophosphanidylethanimidate
PubChem CID59611333
Molecular FormulaC2H4NOP-2
Molecular Weight91.04 g/mol
Exact Mass91.01
IUPAC Name(1E)-N-tritiophosphanidylethanimidate
SMILES[3H][P-]/N=C(\C)[O-]
InChIInChI=1S/C2H5NOP/c1-2(4)3-5/h5H,1H3,(H,3,4)/q-1/p-1/i5T
InChIKeyPQAKVYDCWDJDMI-XHHURNKPSA-M
XLogP-0.18
TPSA35.42 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50091.04
LogP ≤ 5-0.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

sodium N-hydroxyethanimidate
CID 102059901
sodium N-oxidopropan-2-imine
CID 23680170
(1E)-N-(dimethylazaniumyl)ethanimidate
CID 20676007
(1Z)-N-nitroethanimidate
CID 22649980
2-methylbut-2-ene;N-methylpropan-2-imine
CID 161325778
germanium(4+) tetraacetate
CID 158263361
dicopper diacetate
CID 158276690
uranium(4+) tetraacetate
CID 51035191
manganese(3+) diacetate
CID 159209977
terbium(3+) acetate
CID 22482914
(indium(3+)) diacetate
CID 173450278
uranium hexaacetate
CID 20541057

Frequently Asked Questions

What is the IUPAC name of (1E)-N-tritiophosphanidylethanimidate?
The IUPAC name of (1E)-N-tritiophosphanidylethanimidate (CID 59611333) is (1E)-N-tritiophosphanidylethanimidate.
What is the SMILES notation for (1E)-N-tritiophosphanidylethanimidate?
The canonical SMILES for (1E)-N-tritiophosphanidylethanimidate is [3H][P-]/N=C(\C)[O-].
What is the InChIKey of (1E)-N-tritiophosphanidylethanimidate?
The InChIKey is PQAKVYDCWDJDMI-XHHURNKPSA-M. The full InChI is InChI=1S/C2H5NOP/c1-2(4)3-5/h5H,1H3,(H,3,4)/q-1/p-1/i5T.
What are the key properties of (1E)-N-tritiophosphanidylethanimidate?
(1E)-N-tritiophosphanidylethanimidate has a molecular weight of 91.04 g/mol, XLogP of -0.18, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1E)-N-tritiophosphanidylethanimidate is sourced from PubChem (CID 59611333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).