ethyl (1Z)-N-methylidene-1-methyliodanuidylmethanehydrazonate

C5H10IN2O- — CID 172916491

IUPACethyl (1Z)-N-methylidene-1-methyliodanuidylmethanehydrazonate
SMILESC=N/N=C(/OCC)[I-]C
InChIInChI=1S/C5H10IN2O/c1-4-9-5(6-2)8-7-3/h3-4H2,1-2H3/q-1/b8-5+
InChIKeyPVCNWZQJZHJLMD-VMPITWQZSA-N
MW241.05 g/mol
LogP-2.29
Rot. Bonds3

About ethyl (1Z)-N-methylidene-1-methyliodanuidylmethanehydrazonate

ethyl (1Z)-N-methylidene-1-methyliodanuidylmethanehydrazonate (PubChem CID 172916491) has the molecular formula C5H10IN2O- and a molecular weight of 241.05 g/mol. Its IUPAC name is ethyl (1Z)-N-methylidene-1-methyliodanuidylmethanehydrazonate.

Molecular Properties

Compound Nameethyl (1Z)-N-methylidene-1-methyliodanuidylmethanehydrazonate
PubChem CID172916491
Molecular FormulaC5H10IN2O-
Molecular Weight241.05 g/mol
Exact Mass240.98
IUPAC Nameethyl (1Z)-N-methylidene-1-methyliodanuidylmethanehydrazonate
SMILESC=N/N=C(/OCC)[I-]C
InChIInChI=1S/C5H10IN2O/c1-4-9-5(6-2)8-7-3/h3-4H2,1-2H3/q-1/b8-5+
InChIKeyPVCNWZQJZHJLMD-VMPITWQZSA-N
XLogP-2.29
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.05
LogP ≤ 5-2.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(methylideneamino)pentan-3-imine
CID 123972689
ethyl (NZ,1E)-N-(1-ethoxyethylidene)ethanehydrazonate
CID 13199093
(Z)-1-ethoxy-2-(methylideneamino)ethenol
CID 20753163
ethyl (1E)-N-propan-2-ylideneethanehydrazonate
CID 131862809
acetylene;diethyl carbonate
CID 87073597
ethyl 3-methyl-2-(methylideneamino)but-2-enoate
CID 45082132
ethyl (1E)-ethanehydrazonate
CID 57432796
1,1-diethoxyethene;ethane-1,2-diol
CID 88771000
ethyl (NE)-N-ethoxycarbonyliminocarbamate
CID 5462977
tris(1-ethoxyethenyl)indigane
CID 177444077
ethyl (1E)-N-hydroxyethanimidate
CID 5363167
copper(1+);1-ethoxyethenolate
CID 73187688

Frequently Asked Questions

What is the IUPAC name of ethyl (1Z)-N-methylidene-1-methyliodanuidylmethanehydrazonate?
The IUPAC name of ethyl (1Z)-N-methylidene-1-methyliodanuidylmethanehydrazonate (CID 172916491) is ethyl (1Z)-N-methylidene-1-methyliodanuidylmethanehydrazonate.
What is the SMILES notation for ethyl (1Z)-N-methylidene-1-methyliodanuidylmethanehydrazonate?
The canonical SMILES for ethyl (1Z)-N-methylidene-1-methyliodanuidylmethanehydrazonate is C=N/N=C(/OCC)[I-]C.
What is the InChIKey of ethyl (1Z)-N-methylidene-1-methyliodanuidylmethanehydrazonate?
The InChIKey is PVCNWZQJZHJLMD-VMPITWQZSA-N. The full InChI is InChI=1S/C5H10IN2O/c1-4-9-5(6-2)8-7-3/h3-4H2,1-2H3/q-1/b8-5+.
What are the key properties of ethyl (1Z)-N-methylidene-1-methyliodanuidylmethanehydrazonate?
ethyl (1Z)-N-methylidene-1-methyliodanuidylmethanehydrazonate has a molecular weight of 241.05 g/mol, XLogP of -2.29, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (1Z)-N-methylidene-1-methyliodanuidylmethanehydrazonate is sourced from PubChem (CID 172916491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).