cyclobutene-1-carboxamide

C5H7NO — CID 22074965

IUPACcyclobutene-1-carboxamide
SMILESNC(=O)C1=CCC1
InChIInChI=1S/C5H7NO/c6-5(7)4-2-1-3-4/h2H,1,3H2,(H2,6,7)
InChIKeyIELJCNUTQGDVKZ-UHFFFAOYSA-N
MW97.12 g/mol
LogP0.19
Rot. Bonds1

About cyclobutene-1-carboxamide

cyclobutene-1-carboxamide (PubChem CID 22074965) has the molecular formula C5H7NO and a molecular weight of 97.12 g/mol. Its IUPAC name is cyclobutene-1-carboxamide.

Molecular Properties

Compound Namecyclobutene-1-carboxamide
PubChem CID22074965
Molecular FormulaC5H7NO
Molecular Weight97.12 g/mol
Exact Mass97.05
IUPAC Namecyclobutene-1-carboxamide
SMILESNC(=O)C1=CCC1
InChIInChI=1S/C5H7NO/c6-5(7)4-2-1-3-4/h2H,1,3H2,(H2,6,7)
InChIKeyIELJCNUTQGDVKZ-UHFFFAOYSA-N
XLogP0.19
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50097.12
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of cyclobutene-1-carboxamide?
The IUPAC name of cyclobutene-1-carboxamide (CID 22074965) is cyclobutene-1-carboxamide.
What is the SMILES notation for cyclobutene-1-carboxamide?
The canonical SMILES for cyclobutene-1-carboxamide is NC(=O)C1=CCC1.
What is the InChIKey of cyclobutene-1-carboxamide?
The InChIKey is IELJCNUTQGDVKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7NO/c6-5(7)4-2-1-3-4/h2H,1,3H2,(H2,6,7).
What are the key properties of cyclobutene-1-carboxamide?
cyclobutene-1-carboxamide has a molecular weight of 97.12 g/mol, XLogP of 0.19, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutene-1-carboxamide is sourced from PubChem (CID 22074965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).