N'-methyl-2-oxo-N-[(Z)-prop-1-enyl]ethanimidamide

C6H10N2O — CID 126606016

IUPACN'-methyl-2-oxo-N-[(Z)-prop-1-enyl]ethanimidamide
SMILESC/C=C\N/C(C=O)=N/C
InChIInChI=1S/C6H10N2O/c1-3-4-8-6(5-9)7-2/h3-5H,1-2H3,(H,7,8)/b4-3-
InChIKeyKYPMHLUJZBQIKY-ARJAWSKDSA-N
MW126.16 g/mol
LogP0.34
Rot. Bonds2

About N'-methyl-2-oxo-N-[(Z)-prop-1-enyl]ethanimidamide

N'-methyl-2-oxo-N-[(Z)-prop-1-enyl]ethanimidamide (PubChem CID 126606016) has the molecular formula C6H10N2O and a molecular weight of 126.16 g/mol. Its IUPAC name is N'-methyl-2-oxo-N-[(Z)-prop-1-enyl]ethanimidamide.

Molecular Properties

Compound NameN'-methyl-2-oxo-N-[(Z)-prop-1-enyl]ethanimidamide
PubChem CID126606016
Molecular FormulaC6H10N2O
Molecular Weight126.16 g/mol
Exact Mass126.08
IUPAC NameN'-methyl-2-oxo-N-[(Z)-prop-1-enyl]ethanimidamide
SMILESC/C=C\N/C(C=O)=N/C
InChIInChI=1S/C6H10N2O/c1-3-4-8-6(5-9)7-2/h3-5H,1-2H3,(H,7,8)/b4-3-
InChIKeyKYPMHLUJZBQIKY-ARJAWSKDSA-N
XLogP0.34
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.16
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'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-2-oxo-N-[(Z)-prop-1-enyl]ethanimidamide?
The IUPAC name of N'-methyl-2-oxo-N-[(Z)-prop-1-enyl]ethanimidamide (CID 126606016) is N'-methyl-2-oxo-N-[(Z)-prop-1-enyl]ethanimidamide.
What is the SMILES notation for N'-methyl-2-oxo-N-[(Z)-prop-1-enyl]ethanimidamide?
The canonical SMILES for N'-methyl-2-oxo-N-[(Z)-prop-1-enyl]ethanimidamide is C/C=C\N/C(C=O)=N/C.
What is the InChIKey of N'-methyl-2-oxo-N-[(Z)-prop-1-enyl]ethanimidamide?
The InChIKey is KYPMHLUJZBQIKY-ARJAWSKDSA-N. The full InChI is InChI=1S/C6H10N2O/c1-3-4-8-6(5-9)7-2/h3-5H,1-2H3,(H,7,8)/b4-3-.
What are the key properties of N'-methyl-2-oxo-N-[(Z)-prop-1-enyl]ethanimidamide?
N'-methyl-2-oxo-N-[(Z)-prop-1-enyl]ethanimidamide has a molecular weight of 126.16 g/mol, XLogP of 0.34, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-2-oxo-N-[(Z)-prop-1-enyl]ethanimidamide is sourced from PubChem (CID 126606016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).