N-[(E)-but-2-enyl]-1-cyano-3-methylcyclobutane-1-carboxamide

C11H16N2O — CID 131239055

IUPACN-[(E)-but-2-enyl]-1-cyano-3-methylcyclobutane-1-carboxamide
SMILESC/C=C/CNC(=O)C1(C#N)CC(C)C1
InChIInChI=1S/C11H16N2O/c1-3-4-5-13-10(14)11(8-12)6-9(2)7-11/h3-4,9H,5-7H2,1-2H3,(H,13,14)/b4-3+
InChIKeyFWYSFMBZUCBZLQ-ONEGZZNKSA-N
MW192.26 g/mol
LogP1.62
Rot. Bonds3

About N-[(E)-but-2-enyl]-1-cyano-3-methylcyclobutane-1-carboxamide

N-[(E)-but-2-enyl]-1-cyano-3-methylcyclobutane-1-carboxamide (PubChem CID 131239055) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is N-[(E)-but-2-enyl]-1-cyano-3-methylcyclobutane-1-carboxamide.

Molecular Properties

Compound NameN-[(E)-but-2-enyl]-1-cyano-3-methylcyclobutane-1-carboxamide
PubChem CID131239055
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC NameN-[(E)-but-2-enyl]-1-cyano-3-methylcyclobutane-1-carboxamide
SMILESC/C=C/CNC(=O)C1(C#N)CC(C)C1
InChIInChI=1S/C11H16N2O/c1-3-4-5-13-10(14)11(8-12)6-9(2)7-11/h3-4,9H,5-7H2,1-2H3,(H,13,14)/b4-3+
InChIKeyFWYSFMBZUCBZLQ-ONEGZZNKSA-N
XLogP1.62
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 51.62
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 N-[(E)-but-2-enyl]-1-cyano-3-methylcyclobutane-1-carboxamide?
The IUPAC name of N-[(E)-but-2-enyl]-1-cyano-3-methylcyclobutane-1-carboxamide (CID 131239055) is N-[(E)-but-2-enyl]-1-cyano-3-methylcyclobutane-1-carboxamide.
What is the SMILES notation for N-[(E)-but-2-enyl]-1-cyano-3-methylcyclobutane-1-carboxamide?
The canonical SMILES for N-[(E)-but-2-enyl]-1-cyano-3-methylcyclobutane-1-carboxamide is C/C=C/CNC(=O)C1(C#N)CC(C)C1.
What is the InChIKey of N-[(E)-but-2-enyl]-1-cyano-3-methylcyclobutane-1-carboxamide?
The InChIKey is FWYSFMBZUCBZLQ-ONEGZZNKSA-N. The full InChI is InChI=1S/C11H16N2O/c1-3-4-5-13-10(14)11(8-12)6-9(2)7-11/h3-4,9H,5-7H2,1-2H3,(H,13,14)/b4-3+.
What are the key properties of N-[(E)-but-2-enyl]-1-cyano-3-methylcyclobutane-1-carboxamide?
N-[(E)-but-2-enyl]-1-cyano-3-methylcyclobutane-1-carboxamide has a molecular weight of 192.26 g/mol, XLogP of 1.62, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-but-2-enyl]-1-cyano-3-methylcyclobutane-1-carboxamide is sourced from PubChem (CID 131239055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).