1-formylcyclopropane-1,2-dicarbonitrile

C6H4N2O — CID 88564674

IUPAC1-formylcyclopropane-1,2-dicarbonitrile
SMILESN#CC1CC1(C#N)C=O
InChIInChI=1S/C6H4N2O/c7-2-5-1-6(5,3-8)4-9/h4-5H,1H2
InChIKeyRLTAKWOHUZNVLE-UHFFFAOYSA-N
MW120.11 g/mol
LogP0.24
Rot. Bonds1

About 1-formylcyclopropane-1,2-dicarbonitrile

1-formylcyclopropane-1,2-dicarbonitrile (PubChem CID 88564674) has the molecular formula C6H4N2O and a molecular weight of 120.11 g/mol. Its IUPAC name is 1-formylcyclopropane-1,2-dicarbonitrile.

Molecular Properties

Compound Name1-formylcyclopropane-1,2-dicarbonitrile
PubChem CID88564674
Molecular FormulaC6H4N2O
Molecular Weight120.11 g/mol
Exact Mass120.03
IUPAC Name1-formylcyclopropane-1,2-dicarbonitrile
SMILESN#CC1CC1(C#N)C=O
InChIInChI=1S/C6H4N2O/c7-2-5-1-6(5,3-8)4-9/h4-5H,1H2
InChIKeyRLTAKWOHUZNVLE-UHFFFAOYSA-N
XLogP0.24
TPSA64.65 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.11
LogP ≤ 50.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-formylcyclopropane-1,2-dicarbonitrile?
The IUPAC name of 1-formylcyclopropane-1,2-dicarbonitrile (CID 88564674) is 1-formylcyclopropane-1,2-dicarbonitrile.
What is the SMILES notation for 1-formylcyclopropane-1,2-dicarbonitrile?
The canonical SMILES for 1-formylcyclopropane-1,2-dicarbonitrile is N#CC1CC1(C#N)C=O.
What is the InChIKey of 1-formylcyclopropane-1,2-dicarbonitrile?
The InChIKey is RLTAKWOHUZNVLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4N2O/c7-2-5-1-6(5,3-8)4-9/h4-5H,1H2.
What are the key properties of 1-formylcyclopropane-1,2-dicarbonitrile?
1-formylcyclopropane-1,2-dicarbonitrile has a molecular weight of 120.11 g/mol, XLogP of 0.24, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-formylcyclopropane-1,2-dicarbonitrile is sourced from PubChem (CID 88564674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).