1-cyano-N-prop-2-enylcyclobutane-1-carboxamide

C9H12N2O — CID 78994524

IUPAC1-cyano-N-prop-2-enylcyclobutane-1-carboxamide
SMILESC=CCNC(=O)C1(C#N)CCC1
InChIInChI=1S/C9H12N2O/c1-2-6-11-8(12)9(7-10)4-3-5-9/h2H,1,3-6H2,(H,11,12)
InChIKeyOGNPHYNBUQMZGG-UHFFFAOYSA-N
MW164.21 g/mol
LogP0.98
Rot. Bonds3

About 1-cyano-N-prop-2-enylcyclobutane-1-carboxamide

1-cyano-N-prop-2-enylcyclobutane-1-carboxamide (PubChem CID 78994524) has the molecular formula C9H12N2O and a molecular weight of 164.21 g/mol. Its IUPAC name is 1-cyano-N-prop-2-enylcyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-cyano-N-prop-2-enylcyclobutane-1-carboxamide
PubChem CID78994524
Molecular FormulaC9H12N2O
Molecular Weight164.21 g/mol
Exact Mass164.09
IUPAC Name1-cyano-N-prop-2-enylcyclobutane-1-carboxamide
SMILESC=CCNC(=O)C1(C#N)CCC1
InChIInChI=1S/C9H12N2O/c1-2-6-11-8(12)9(7-10)4-3-5-9/h2H,1,3-6H2,(H,11,12)
InChIKeyOGNPHYNBUQMZGG-UHFFFAOYSA-N
XLogP0.98
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.21
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-cyano-N-prop-2-enylcyclobutane-1-carboxamide?
The IUPAC name of 1-cyano-N-prop-2-enylcyclobutane-1-carboxamide (CID 78994524) is 1-cyano-N-prop-2-enylcyclobutane-1-carboxamide.
What is the SMILES notation for 1-cyano-N-prop-2-enylcyclobutane-1-carboxamide?
The canonical SMILES for 1-cyano-N-prop-2-enylcyclobutane-1-carboxamide is C=CCNC(=O)C1(C#N)CCC1.
What is the InChIKey of 1-cyano-N-prop-2-enylcyclobutane-1-carboxamide?
The InChIKey is OGNPHYNBUQMZGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O/c1-2-6-11-8(12)9(7-10)4-3-5-9/h2H,1,3-6H2,(H,11,12).
What are the key properties of 1-cyano-N-prop-2-enylcyclobutane-1-carboxamide?
1-cyano-N-prop-2-enylcyclobutane-1-carboxamide has a molecular weight of 164.21 g/mol, XLogP of 0.98, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N-prop-2-enylcyclobutane-1-carboxamide is sourced from PubChem (CID 78994524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).