2-hydroxy-N-methylidene-N'-(2-methylprop-1-enyl)ethanimidamide

C7H12N2O — CID 146550071

IUPAC2-hydroxy-N-methylidene-N'-(2-methylprop-1-enyl)ethanimidamide
SMILESC=N/C(CO)=N/C=C(C)C
InChIInChI=1S/C7H12N2O/c1-6(2)4-9-7(5-10)8-3/h4,10H,3,5H2,1-2H3/b9-7+
InChIKeyVLUZNLZTJDFBMB-VQHVLOKHSA-N
MW140.19 g/mol
LogP1.00
Rot. Bonds2

About 2-hydroxy-N-methylidene-N'-(2-methylprop-1-enyl)ethanimidamide

2-hydroxy-N-methylidene-N'-(2-methylprop-1-enyl)ethanimidamide (PubChem CID 146550071) has the molecular formula C7H12N2O and a molecular weight of 140.19 g/mol. Its IUPAC name is 2-hydroxy-N-methylidene-N'-(2-methylprop-1-enyl)ethanimidamide.

Molecular Properties

Compound Name2-hydroxy-N-methylidene-N'-(2-methylprop-1-enyl)ethanimidamide
PubChem CID146550071
Molecular FormulaC7H12N2O
Molecular Weight140.19 g/mol
Exact Mass140.09
IUPAC Name2-hydroxy-N-methylidene-N'-(2-methylprop-1-enyl)ethanimidamide
SMILESC=N/C(CO)=N/C=C(C)C
InChIInChI=1S/C7H12N2O/c1-6(2)4-9-7(5-10)8-3/h4,10H,3,5H2,1-2H3/b9-7+
InChIKeyVLUZNLZTJDFBMB-VQHVLOKHSA-N
XLogP1.00
TPSA44.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.19
LogP ≤ 51.00
H-Bond Donors ≤ 51
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 2-hydroxy-N-methylidene-N'-(2-methylprop-1-enyl)ethanimidamide?
The IUPAC name of 2-hydroxy-N-methylidene-N'-(2-methylprop-1-enyl)ethanimidamide (CID 146550071) is 2-hydroxy-N-methylidene-N'-(2-methylprop-1-enyl)ethanimidamide.
What is the SMILES notation for 2-hydroxy-N-methylidene-N'-(2-methylprop-1-enyl)ethanimidamide?
The canonical SMILES for 2-hydroxy-N-methylidene-N'-(2-methylprop-1-enyl)ethanimidamide is C=N/C(CO)=N/C=C(C)C.
What is the InChIKey of 2-hydroxy-N-methylidene-N'-(2-methylprop-1-enyl)ethanimidamide?
The InChIKey is VLUZNLZTJDFBMB-VQHVLOKHSA-N. The full InChI is InChI=1S/C7H12N2O/c1-6(2)4-9-7(5-10)8-3/h4,10H,3,5H2,1-2H3/b9-7+.
What are the key properties of 2-hydroxy-N-methylidene-N'-(2-methylprop-1-enyl)ethanimidamide?
2-hydroxy-N-methylidene-N'-(2-methylprop-1-enyl)ethanimidamide has a molecular weight of 140.19 g/mol, XLogP of 1.00, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-methylidene-N'-(2-methylprop-1-enyl)ethanimidamide is sourced from PubChem (CID 146550071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).