N'-(chloromethoxy)methanimidamide

C2H5ClN2O — CID 123494030

IUPACN'-(chloromethoxy)methanimidamide
SMILESNC=NOCCl
InChIInChI=1S/C2H5ClN2O/c3-1-6-5-2-4/h2H,1H2,(H2,4,5)
InChIKeyMCXBQRMHLNGUQM-UHFFFAOYSA-N
MW108.53 g/mol
LogP0.10
Rot. Bonds2

About N'-(chloromethoxy)methanimidamide

N'-(chloromethoxy)methanimidamide (PubChem CID 123494030) has the molecular formula C2H5ClN2O and a molecular weight of 108.53 g/mol. Its IUPAC name is N'-(chloromethoxy)methanimidamide.

Molecular Properties

Compound NameN'-(chloromethoxy)methanimidamide
PubChem CID123494030
Molecular FormulaC2H5ClN2O
Molecular Weight108.53 g/mol
Exact Mass108.01
IUPAC NameN'-(chloromethoxy)methanimidamide
SMILESNC=NOCCl
InChIInChI=1S/C2H5ClN2O/c3-1-6-5-2-4/h2H,1H2,(H2,4,5)
InChIKeyMCXBQRMHLNGUQM-UHFFFAOYSA-N
XLogP0.10
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500108.53
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[(E)-aminomethylideneamino] formate
CID 23295670
N'-[(E)-prop-1-enoxy]methanimidamide
CID 170068703
bis(chloromethyl) but-2-enedioate
CID 57287087
N'-[(Z)-4-methylpent-2-en-3-yl]oxymethanimidamide
CID 134344133
ethyl 2-(2-chloroethylideneamino)oxyacetate
CID 54264942
(E)-N-butoxy-2-chloroethanimine
CID 18926175
2-[(Z)-(2,6-dichlorophenyl)methylideneamino]oxyethanamine
CID 88522933
chloromethyl 2-methylpent-2-enoate
CID 174869785
chloromethyl hypobromite
CID 150596256
CID 151872887
CID 151872887
N'-hydroxymethanimidamide
CID 5354577
chloromethyl hypochlorite;methane
CID 161366929

Frequently Asked Questions

What is the IUPAC name of N'-(chloromethoxy)methanimidamide?
The IUPAC name of N'-(chloromethoxy)methanimidamide (CID 123494030) is N'-(chloromethoxy)methanimidamide.
What is the SMILES notation for N'-(chloromethoxy)methanimidamide?
The canonical SMILES for N'-(chloromethoxy)methanimidamide is NC=NOCCl.
What is the InChIKey of N'-(chloromethoxy)methanimidamide?
The InChIKey is MCXBQRMHLNGUQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H5ClN2O/c3-1-6-5-2-4/h2H,1H2,(H2,4,5).
What are the key properties of N'-(chloromethoxy)methanimidamide?
N'-(chloromethoxy)methanimidamide has a molecular weight of 108.53 g/mol, XLogP of 0.10, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(chloromethoxy)methanimidamide is sourced from PubChem (CID 123494030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).