2-iminoacetic acid;methane

C3H7NO2 — CID 174572824

IUPAC2-iminoacetic acid;methane
SMILESC.[H]/N=C/C(=O)O
InChIInChI=1S/C2H3NO2.CH4/c3-1-2(4)5;/h1,3H,(H,4,5);1H4/b3-1+;
InChIKeyLWNYFRKKMQAUOF-KSMVGCCESA-N
MW89.09 g/mol
LogP0.36
Rot. Bonds1

About 2-iminoacetic acid;methane

2-iminoacetic acid;methane (PubChem CID 174572824) has the molecular formula C3H7NO2 and a molecular weight of 89.09 g/mol. Its IUPAC name is 2-iminoacetic acid;methane.

Molecular Properties

Compound Name2-iminoacetic acid;methane
PubChem CID174572824
Molecular FormulaC3H7NO2
Molecular Weight89.09 g/mol
Exact Mass89.05
IUPAC Name2-iminoacetic acid;methane
SMILESC.[H]/N=C/C(=O)O
InChIInChI=1S/C2H3NO2.CH4/c3-1-2(4)5;/h1,3H,(H,4,5);1H4/b3-1+;
InChIKeyLWNYFRKKMQAUOF-KSMVGCCESA-N
XLogP0.36
TPSA61.15 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50089.09
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-iminoacetic acid;hydrobromide
CID 175483406
(E)-3-hydroxy-2-methanimidoylbut-2-enoic acid
CID 135706819
2-hydroxy-4-imino-3-oxobutanoic acid
CID 154477495
(Z)-5-imino-3,4-dimethylpent-3-en-2-one
CID 145478376
acetic acid;(13C)methanimidamide
CID 71309360
(E)-5-hydroxy-4-methanimidoyl-2,6-dimethylhept-4-en-3-one
CID 135746746
(E)-1,1,1,5,5,5-hexafluoro-4-hydroxy-3-methanimidoylpent-3-en-2-one
CID 135926805
4-imino-2-methoxy-3-oxobutanoic acid
CID 57243564
3-amino-1-iminobutan-2-one
CID 174343794
copper;2-iminoacetate;zirconium;acetate
CID 175014404
(E)-5-iminopent-2-enoic acid
CID 166746904
1-imino-3-phenylpropan-2-one
CID 54129851

Frequently Asked Questions

What is the IUPAC name of 2-iminoacetic acid;methane?
The IUPAC name of 2-iminoacetic acid;methane (CID 174572824) is 2-iminoacetic acid;methane.
What is the SMILES notation for 2-iminoacetic acid;methane?
The canonical SMILES for 2-iminoacetic acid;methane is C.[H]/N=C/C(=O)O.
What is the InChIKey of 2-iminoacetic acid;methane?
The InChIKey is LWNYFRKKMQAUOF-KSMVGCCESA-N. The full InChI is InChI=1S/C2H3NO2.CH4/c3-1-2(4)5;/h1,3H,(H,4,5);1H4/b3-1+;.
What are the key properties of 2-iminoacetic acid;methane?
2-iminoacetic acid;methane has a molecular weight of 89.09 g/mol, XLogP of 0.36, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iminoacetic acid;methane is sourced from PubChem (CID 174572824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).