methyl N-cyano-2-methylpropanimidate

C6H10N2O — CID 11332466

IUPACmethyl N-cyano-2-methylpropanimidate
SMILESCO/C(=N\C#N)C(C)C
InChIInChI=1S/C6H10N2O/c1-5(2)6(9-3)8-4-7/h5H,1-3H3/b8-6-
InChIKeyXLPTWBWIVATEPN-VURMDHGXSA-N
MW126.16 g/mol
LogP1.17
Rot. Bonds1

About methyl N-cyano-2-methylpropanimidate

methyl N-cyano-2-methylpropanimidate (PubChem CID 11332466) has the molecular formula C6H10N2O and a molecular weight of 126.16 g/mol. Its IUPAC name is methyl N-cyano-2-methylpropanimidate.

Molecular Properties

Compound Namemethyl N-cyano-2-methylpropanimidate
PubChem CID11332466
Molecular FormulaC6H10N2O
Molecular Weight126.16 g/mol
Exact Mass126.08
IUPAC Namemethyl N-cyano-2-methylpropanimidate
SMILESCO/C(=N\C#N)C(C)C
InChIInChI=1S/C6H10N2O/c1-5(2)6(9-3)8-4-7/h5H,1-3H3/b8-6-
InChIKeyXLPTWBWIVATEPN-VURMDHGXSA-N
XLogP1.17
TPSA45.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.16
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', '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 methyl N-cyano-2-methylpropanimidate?
The IUPAC name of methyl N-cyano-2-methylpropanimidate (CID 11332466) is methyl N-cyano-2-methylpropanimidate.
What is the SMILES notation for methyl N-cyano-2-methylpropanimidate?
The canonical SMILES for methyl N-cyano-2-methylpropanimidate is CO/C(=N\C#N)C(C)C.
What is the InChIKey of methyl N-cyano-2-methylpropanimidate?
The InChIKey is XLPTWBWIVATEPN-VURMDHGXSA-N. The full InChI is InChI=1S/C6H10N2O/c1-5(2)6(9-3)8-4-7/h5H,1-3H3/b8-6-.
What are the key properties of methyl N-cyano-2-methylpropanimidate?
methyl N-cyano-2-methylpropanimidate has a molecular weight of 126.16 g/mol, XLogP of 1.17, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-cyano-2-methylpropanimidate is sourced from PubChem (CID 11332466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).