[ethenyl(methyl)carbamoyl]-methanidyl-methylazanium

C6H12N2O — CID 59820621

IUPAC[ethenyl(methyl)carbamoyl]-methanidyl-methylazanium
SMILESC=CN(C)C(=O)[NH+]([CH2-])C
InChIInChI=1S/C6H12N2O/c1-5-8(4)6(9)7(2)3/h5,7H,1-2H2,3-4H3
InChIKeyPGTXDRRUPPTYAM-UHFFFAOYSA-N
MW128.17 g/mol
LogP-0.51
Rot. Bonds1

About [ethenyl(methyl)carbamoyl]-methanidyl-methylazanium

[ethenyl(methyl)carbamoyl]-methanidyl-methylazanium (PubChem CID 59820621) has the molecular formula C6H12N2O and a molecular weight of 128.17 g/mol. Its IUPAC name is [ethenyl(methyl)carbamoyl]-methanidyl-methylazanium.

Molecular Properties

Compound Name[ethenyl(methyl)carbamoyl]-methanidyl-methylazanium
PubChem CID59820621
Molecular FormulaC6H12N2O
Molecular Weight128.17 g/mol
Exact Mass128.09
IUPAC Name[ethenyl(methyl)carbamoyl]-methanidyl-methylazanium
SMILESC=CN(C)C(=O)[NH+]([CH2-])C
InChIInChI=1S/C6H12N2O/c1-5-8(4)6(9)7(2)3/h5,7H,1-2H2,3-4H3
InChIKeyPGTXDRRUPPTYAM-UHFFFAOYSA-N
XLogP-0.51
TPSA24.75 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.17
LogP ≤ 5-0.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [ethenyl(methyl)carbamoyl]-methanidyl-methylazanium?
The IUPAC name of [ethenyl(methyl)carbamoyl]-methanidyl-methylazanium (CID 59820621) is [ethenyl(methyl)carbamoyl]-methanidyl-methylazanium.
What is the SMILES notation for [ethenyl(methyl)carbamoyl]-methanidyl-methylazanium?
The canonical SMILES for [ethenyl(methyl)carbamoyl]-methanidyl-methylazanium is C=CN(C)C(=O)[NH+]([CH2-])C.
What is the InChIKey of [ethenyl(methyl)carbamoyl]-methanidyl-methylazanium?
The InChIKey is PGTXDRRUPPTYAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O/c1-5-8(4)6(9)7(2)3/h5,7H,1-2H2,3-4H3.
What are the key properties of [ethenyl(methyl)carbamoyl]-methanidyl-methylazanium?
[ethenyl(methyl)carbamoyl]-methanidyl-methylazanium has a molecular weight of 128.17 g/mol, XLogP of -0.51, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [ethenyl(methyl)carbamoyl]-methanidyl-methylazanium is sourced from PubChem (CID 59820621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).