2-methylimidazolidine-4,5-dicarbonitrile

C6H8N4 — CID 91522645

IUPAC2-methylimidazolidine-4,5-dicarbonitrile
SMILESCC1NC(C#N)C(C#N)N1
InChIInChI=1S/C6H8N4/c1-4-9-5(2-7)6(3-8)10-4/h4-6,9-10H,1H3
InChIKeyOJKAHDRUXWFJNM-UHFFFAOYSA-N
MW136.16 g/mol
LogP-0.69
Rot. Bonds

About 2-methylimidazolidine-4,5-dicarbonitrile

2-methylimidazolidine-4,5-dicarbonitrile (PubChem CID 91522645) has the molecular formula C6H8N4 and a molecular weight of 136.16 g/mol. Its IUPAC name is 2-methylimidazolidine-4,5-dicarbonitrile.

Molecular Properties

Compound Name2-methylimidazolidine-4,5-dicarbonitrile
PubChem CID91522645
Molecular FormulaC6H8N4
Molecular Weight136.16 g/mol
Exact Mass136.07
IUPAC Name2-methylimidazolidine-4,5-dicarbonitrile
SMILESCC1NC(C#N)C(C#N)N1
InChIInChI=1S/C6H8N4/c1-4-9-5(2-7)6(3-8)10-4/h4-6,9-10H,1H3
InChIKeyOJKAHDRUXWFJNM-UHFFFAOYSA-N
XLogP-0.69
TPSA71.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.16
LogP ≤ 5-0.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methylimidazolidine-4,5-dicarbonitrile?
The IUPAC name of 2-methylimidazolidine-4,5-dicarbonitrile (CID 91522645) is 2-methylimidazolidine-4,5-dicarbonitrile.
What is the SMILES notation for 2-methylimidazolidine-4,5-dicarbonitrile?
The canonical SMILES for 2-methylimidazolidine-4,5-dicarbonitrile is CC1NC(C#N)C(C#N)N1.
What is the InChIKey of 2-methylimidazolidine-4,5-dicarbonitrile?
The InChIKey is OJKAHDRUXWFJNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N4/c1-4-9-5(2-7)6(3-8)10-4/h4-6,9-10H,1H3.
What are the key properties of 2-methylimidazolidine-4,5-dicarbonitrile?
2-methylimidazolidine-4,5-dicarbonitrile has a molecular weight of 136.16 g/mol, XLogP of -0.69, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylimidazolidine-4,5-dicarbonitrile is sourced from PubChem (CID 91522645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).