N'-methyl-N-(2-oxopropylidene)methanimidamide

C5H8N2O — CID 122579472

IUPACN'-methyl-N-(2-oxopropylidene)methanimidamide
SMILESC/N=C/N=C/C(C)=O
InChIInChI=1S/C5H8N2O/c1-5(8)3-7-4-6-2/h3-4H,1-2H3/b6-4+,7-3+
InChIKeyMAYPZSOWSROYOE-DVFLZCIWSA-N
MW112.13 g/mol
LogP0.30
Rot. Bonds2

About N'-methyl-N-(2-oxopropylidene)methanimidamide

N'-methyl-N-(2-oxopropylidene)methanimidamide (PubChem CID 122579472) has the molecular formula C5H8N2O and a molecular weight of 112.13 g/mol. Its IUPAC name is N'-methyl-N-(2-oxopropylidene)methanimidamide.

Molecular Properties

Compound NameN'-methyl-N-(2-oxopropylidene)methanimidamide
PubChem CID122579472
Molecular FormulaC5H8N2O
Molecular Weight112.13 g/mol
Exact Mass112.06
IUPAC NameN'-methyl-N-(2-oxopropylidene)methanimidamide
SMILESC/N=C/N=C/C(C)=O
InChIInChI=1S/C5H8N2O/c1-5(8)3-7-4-6-2/h3-4H,1-2H3/b6-4+,7-3+
InChIKeyMAYPZSOWSROYOE-DVFLZCIWSA-N
XLogP0.30
TPSA41.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.13
LogP ≤ 50.30
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'}

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Frequently Asked Questions

What is the IUPAC name of N'-methyl-N-(2-oxopropylidene)methanimidamide?
The IUPAC name of N'-methyl-N-(2-oxopropylidene)methanimidamide (CID 122579472) is N'-methyl-N-(2-oxopropylidene)methanimidamide.
What is the SMILES notation for N'-methyl-N-(2-oxopropylidene)methanimidamide?
The canonical SMILES for N'-methyl-N-(2-oxopropylidene)methanimidamide is C/N=C/N=C/C(C)=O.
What is the InChIKey of N'-methyl-N-(2-oxopropylidene)methanimidamide?
The InChIKey is MAYPZSOWSROYOE-DVFLZCIWSA-N. The full InChI is InChI=1S/C5H8N2O/c1-5(8)3-7-4-6-2/h3-4H,1-2H3/b6-4+,7-3+.
What are the key properties of N'-methyl-N-(2-oxopropylidene)methanimidamide?
N'-methyl-N-(2-oxopropylidene)methanimidamide has a molecular weight of 112.13 g/mol, XLogP of 0.30, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N-(2-oxopropylidene)methanimidamide is sourced from PubChem (CID 122579472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).