1-ethylcyclobut-2-ene-1-carboxamide

C7H11NO — CID 131980488

IUPAC1-ethylcyclobut-2-ene-1-carboxamide
SMILESCCC1(C(N)=O)C=CC1
InChIInChI=1S/C7H11NO/c1-2-7(6(8)9)4-3-5-7/h3-4H,2,5H2,1H3,(H2,8,9)
InChIKeyCBPOMAWHNIBGGB-UHFFFAOYSA-N
MW125.17 g/mol
LogP0.83
Rot. Bonds2

About 1-ethylcyclobut-2-ene-1-carboxamide

1-ethylcyclobut-2-ene-1-carboxamide (PubChem CID 131980488) has the molecular formula C7H11NO and a molecular weight of 125.17 g/mol. Its IUPAC name is 1-ethylcyclobut-2-ene-1-carboxamide.

Molecular Properties

Compound Name1-ethylcyclobut-2-ene-1-carboxamide
PubChem CID131980488
Molecular FormulaC7H11NO
Molecular Weight125.17 g/mol
Exact Mass125.08
IUPAC Name1-ethylcyclobut-2-ene-1-carboxamide
SMILESCCC1(C(N)=O)C=CC1
InChIInChI=1S/C7H11NO/c1-2-7(6(8)9)4-3-5-7/h3-4H,2,5H2,1H3,(H2,8,9)
InChIKeyCBPOMAWHNIBGGB-UHFFFAOYSA-N
XLogP0.83
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-ethylcyclobut-2-ene-1-carboxamide?
The IUPAC name of 1-ethylcyclobut-2-ene-1-carboxamide (CID 131980488) is 1-ethylcyclobut-2-ene-1-carboxamide.
What is the SMILES notation for 1-ethylcyclobut-2-ene-1-carboxamide?
The canonical SMILES for 1-ethylcyclobut-2-ene-1-carboxamide is CCC1(C(N)=O)C=CC1.
What is the InChIKey of 1-ethylcyclobut-2-ene-1-carboxamide?
The InChIKey is CBPOMAWHNIBGGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO/c1-2-7(6(8)9)4-3-5-7/h3-4H,2,5H2,1H3,(H2,8,9).
What are the key properties of 1-ethylcyclobut-2-ene-1-carboxamide?
1-ethylcyclobut-2-ene-1-carboxamide has a molecular weight of 125.17 g/mol, XLogP of 0.83, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylcyclobut-2-ene-1-carboxamide is sourced from PubChem (CID 131980488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).