cyclobut-2-ene-1-carboxamide

C5H7NO — CID 543065

IUPACcyclobut-2-ene-1-carboxamide
SMILESNC(=O)C1C=CC1
InChIInChI=1S/C5H7NO/c6-5(7)4-2-1-3-4/h1-2,4H,3H2,(H2,6,7)
InChIKeyHNDTUXUFPDSHJX-UHFFFAOYSA-N
MW97.12 g/mol
LogP0.05
Rot. Bonds1

About cyclobut-2-ene-1-carboxamide

cyclobut-2-ene-1-carboxamide (PubChem CID 543065) has the molecular formula C5H7NO and a molecular weight of 97.12 g/mol. Its IUPAC name is cyclobut-2-ene-1-carboxamide.

Molecular Properties

Compound Namecyclobut-2-ene-1-carboxamide
PubChem CID543065
Molecular FormulaC5H7NO
Molecular Weight97.12 g/mol
Exact Mass97.05
IUPAC Namecyclobut-2-ene-1-carboxamide
SMILESNC(=O)C1C=CC1
InChIInChI=1S/C5H7NO/c6-5(7)4-2-1-3-4/h1-2,4H,3H2,(H2,6,7)
InChIKeyHNDTUXUFPDSHJX-UHFFFAOYSA-N
XLogP0.05
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 ≤ 50.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Cyclopent-3-ene-1-carboxamide
CID 26369821
3-Methylpent-4-enamide
CID 13110692
Dihydrobenzoylamine
CID 18942709
2-Ethylbut-3-enamide
CID 57248287
Hex-4-enamide
CID 54203128
(E)-hex-4-enamide
CID 10909533
7-Methyloct-4-enoic amide
CID 129735237
(E)-hept-4-enamide
CID 21282700
(E)-2,3-dimethylpent-3-enamide
CID 23518687
Hept-4-enamide
CID 54276432
2-Methylpent-4-enamide
CID 55281325
(Z)-hept-4-enamide
CID 55285019

Frequently Asked Questions

What is the IUPAC name of cyclobut-2-ene-1-carboxamide?
The IUPAC name of cyclobut-2-ene-1-carboxamide (CID 543065) is cyclobut-2-ene-1-carboxamide.
What is the SMILES notation for cyclobut-2-ene-1-carboxamide?
The canonical SMILES for cyclobut-2-ene-1-carboxamide is NC(=O)C1C=CC1.
What is the InChIKey of cyclobut-2-ene-1-carboxamide?
The InChIKey is HNDTUXUFPDSHJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7NO/c6-5(7)4-2-1-3-4/h1-2,4H,3H2,(H2,6,7).
What are the key properties of cyclobut-2-ene-1-carboxamide?
cyclobut-2-ene-1-carboxamide has a molecular weight of 97.12 g/mol, XLogP of 0.05, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobut-2-ene-1-carboxamide is sourced from PubChem (CID 543065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).