2-cyano-4-cyclopropylbut-2-enamide

C8H10N2O — CID 57046667

IUPAC2-cyano-4-cyclopropylbut-2-enamide
SMILESN#CC(=CCC1CC1)C(N)=O
InChIInChI=1S/C8H10N2O/c9-5-7(8(10)11)4-3-6-1-2-6/h4,6H,1-3H2,(H2,10,11)
InChIKeyCCRGVCZEJXOTEF-UHFFFAOYSA-N
MW150.18 g/mol
LogP0.72
Rot. Bonds3

About 2-cyano-4-cyclopropylbut-2-enamide

2-cyano-4-cyclopropylbut-2-enamide (PubChem CID 57046667) has the molecular formula C8H10N2O and a molecular weight of 150.18 g/mol. Its IUPAC name is 2-cyano-4-cyclopropylbut-2-enamide.

Molecular Properties

Compound Name2-cyano-4-cyclopropylbut-2-enamide
PubChem CID57046667
Molecular FormulaC8H10N2O
Molecular Weight150.18 g/mol
Exact Mass150.08
IUPAC Name2-cyano-4-cyclopropylbut-2-enamide
SMILESN#CC(=CCC1CC1)C(N)=O
InChIInChI=1S/C8H10N2O/c9-5-7(8(10)11)4-3-6-1-2-6/h4,6H,1-3H2,(H2,10,11)
InChIKeyCCRGVCZEJXOTEF-UHFFFAOYSA-N
XLogP0.72
TPSA66.88 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.18
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-cyano-4-cyclopropylbut-2-enamide?
The IUPAC name of 2-cyano-4-cyclopropylbut-2-enamide (CID 57046667) is 2-cyano-4-cyclopropylbut-2-enamide.
What is the SMILES notation for 2-cyano-4-cyclopropylbut-2-enamide?
The canonical SMILES for 2-cyano-4-cyclopropylbut-2-enamide is N#CC(=CCC1CC1)C(N)=O.
What is the InChIKey of 2-cyano-4-cyclopropylbut-2-enamide?
The InChIKey is CCRGVCZEJXOTEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O/c9-5-7(8(10)11)4-3-6-1-2-6/h4,6H,1-3H2,(H2,10,11).
What are the key properties of 2-cyano-4-cyclopropylbut-2-enamide?
2-cyano-4-cyclopropylbut-2-enamide has a molecular weight of 150.18 g/mol, XLogP of 0.72, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-4-cyclopropylbut-2-enamide is sourced from PubChem (CID 57046667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).