3-ethenyl-3-methylcyclobutane-1-carboxamide

C8H13NO — CID 143058986

IUPAC3-ethenyl-3-methylcyclobutane-1-carboxamide
SMILESC=CC1(C)CC(C(N)=O)C1
InChIInChI=1S/C8H13NO/c1-3-8(2)4-6(5-8)7(9)10/h3,6H,1,4-5H2,2H3,(H2,9,10)
InChIKeyGPQTVJPJDHPKNH-UHFFFAOYSA-N
MW139.20 g/mol
LogP1.07
Rot. Bonds2

About 3-ethenyl-3-methylcyclobutane-1-carboxamide

3-ethenyl-3-methylcyclobutane-1-carboxamide (PubChem CID 143058986) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is 3-ethenyl-3-methylcyclobutane-1-carboxamide.

Molecular Properties

Compound Name3-ethenyl-3-methylcyclobutane-1-carboxamide
PubChem CID143058986
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name3-ethenyl-3-methylcyclobutane-1-carboxamide
SMILESC=CC1(C)CC(C(N)=O)C1
InChIInChI=1S/C8H13NO/c1-3-8(2)4-6(5-8)7(9)10/h3,6H,1,4-5H2,2H3,(H2,9,10)
InChIKeyGPQTVJPJDHPKNH-UHFFFAOYSA-N
XLogP1.07
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 51.07
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

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(3S)-5,5-dimethylpyrrolidine-3-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 3-ethenyl-3-methylcyclobutane-1-carboxamide?
The IUPAC name of 3-ethenyl-3-methylcyclobutane-1-carboxamide (CID 143058986) is 3-ethenyl-3-methylcyclobutane-1-carboxamide.
What is the SMILES notation for 3-ethenyl-3-methylcyclobutane-1-carboxamide?
The canonical SMILES for 3-ethenyl-3-methylcyclobutane-1-carboxamide is C=CC1(C)CC(C(N)=O)C1.
What is the InChIKey of 3-ethenyl-3-methylcyclobutane-1-carboxamide?
The InChIKey is GPQTVJPJDHPKNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO/c1-3-8(2)4-6(5-8)7(9)10/h3,6H,1,4-5H2,2H3,(H2,9,10).
What are the key properties of 3-ethenyl-3-methylcyclobutane-1-carboxamide?
3-ethenyl-3-methylcyclobutane-1-carboxamide has a molecular weight of 139.20 g/mol, XLogP of 1.07, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenyl-3-methylcyclobutane-1-carboxamide is sourced from PubChem (CID 143058986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).