1-cyano-N-pent-4-en-2-ylcyclobutane-1-carboxamide

C11H16N2O — CID 115636303

IUPAC1-cyano-N-pent-4-en-2-ylcyclobutane-1-carboxamide
SMILESC=CCC(C)NC(=O)C1(C#N)CCC1
InChIInChI=1S/C11H16N2O/c1-3-5-9(2)13-10(14)11(8-12)6-4-7-11/h3,9H,1,4-7H2,2H3,(H,13,14)
InChIKeyQZBYHLJJXYTQTN-UHFFFAOYSA-N
MW192.26 g/mol
LogP1.76
Rot. Bonds4

About 1-cyano-N-pent-4-en-2-ylcyclobutane-1-carboxamide

1-cyano-N-pent-4-en-2-ylcyclobutane-1-carboxamide (PubChem CID 115636303) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is 1-cyano-N-pent-4-en-2-ylcyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-cyano-N-pent-4-en-2-ylcyclobutane-1-carboxamide
PubChem CID115636303
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name1-cyano-N-pent-4-en-2-ylcyclobutane-1-carboxamide
SMILESC=CCC(C)NC(=O)C1(C#N)CCC1
InChIInChI=1S/C11H16N2O/c1-3-5-9(2)13-10(14)11(8-12)6-4-7-11/h3,9H,1,4-7H2,2H3,(H,13,14)
InChIKeyQZBYHLJJXYTQTN-UHFFFAOYSA-N
XLogP1.76
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 51.76
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-pent-4-en-2-ylcyclobutane-1-carboxamide?
The IUPAC name of 1-cyano-N-pent-4-en-2-ylcyclobutane-1-carboxamide (CID 115636303) is 1-cyano-N-pent-4-en-2-ylcyclobutane-1-carboxamide.
What is the SMILES notation for 1-cyano-N-pent-4-en-2-ylcyclobutane-1-carboxamide?
The canonical SMILES for 1-cyano-N-pent-4-en-2-ylcyclobutane-1-carboxamide is C=CCC(C)NC(=O)C1(C#N)CCC1.
What is the InChIKey of 1-cyano-N-pent-4-en-2-ylcyclobutane-1-carboxamide?
The InChIKey is QZBYHLJJXYTQTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O/c1-3-5-9(2)13-10(14)11(8-12)6-4-7-11/h3,9H,1,4-7H2,2H3,(H,13,14).
What are the key properties of 1-cyano-N-pent-4-en-2-ylcyclobutane-1-carboxamide?
1-cyano-N-pent-4-en-2-ylcyclobutane-1-carboxamide has a molecular weight of 192.26 g/mol, XLogP of 1.76, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N-pent-4-en-2-ylcyclobutane-1-carboxamide is sourced from PubChem (CID 115636303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).