N-prop-2-enylcyclobutanecarboxamide

C8H13NO — CID 55207578

IUPACN-prop-2-enylcyclobutanecarboxamide
SMILESC=CCNC(=O)C1CCC1
InChIInChI=1S/C8H13NO/c1-2-6-9-8(10)7-4-3-5-7/h2,7H,1,3-6H2,(H,9,10)
InChIKeyINOXYKISNNIZIJ-UHFFFAOYSA-N
MW139.20 g/mol
LogP1.09
Rot. Bonds3

About N-prop-2-enylcyclobutanecarboxamide

N-prop-2-enylcyclobutanecarboxamide (PubChem CID 55207578) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is N-prop-2-enylcyclobutanecarboxamide.

Molecular Properties

Compound NameN-prop-2-enylcyclobutanecarboxamide
PubChem CID55207578
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC NameN-prop-2-enylcyclobutanecarboxamide
SMILESC=CCNC(=O)C1CCC1
InChIInChI=1S/C8H13NO/c1-2-6-9-8(10)7-4-3-5-7/h2,7H,1,3-6H2,(H,9,10)
InChIKeyINOXYKISNNIZIJ-UHFFFAOYSA-N
XLogP1.09
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 51.09
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 N-prop-2-enylcyclobutanecarboxamide?
The IUPAC name of N-prop-2-enylcyclobutanecarboxamide (CID 55207578) is N-prop-2-enylcyclobutanecarboxamide.
What is the SMILES notation for N-prop-2-enylcyclobutanecarboxamide?
The canonical SMILES for N-prop-2-enylcyclobutanecarboxamide is C=CCNC(=O)C1CCC1.
What is the InChIKey of N-prop-2-enylcyclobutanecarboxamide?
The InChIKey is INOXYKISNNIZIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO/c1-2-6-9-8(10)7-4-3-5-7/h2,7H,1,3-6H2,(H,9,10).
What are the key properties of N-prop-2-enylcyclobutanecarboxamide?
N-prop-2-enylcyclobutanecarboxamide has a molecular weight of 139.20 g/mol, XLogP of 1.09, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-enylcyclobutanecarboxamide is sourced from PubChem (CID 55207578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).