(E)-N-tert-butyl-4-cyano-2-methylpent-2-enamide

C11H18N2O — CID 140554470

IUPAC(E)-N-tert-butyl-4-cyano-2-methylpent-2-enamide
SMILESC/C(=C\C(C)C#N)C(=O)NC(C)(C)C
InChIInChI=1S/C11H18N2O/c1-8(7-12)6-9(2)10(14)13-11(3,4)5/h6,8H,1-5H3,(H,13,14)/b9-6+
InChIKeyDGQPLVWJDISEJI-RMKNXTFCSA-N
MW194.28 g/mol
LogP2.01
Rot. Bonds2

About (E)-N-tert-butyl-4-cyano-2-methylpent-2-enamide

(E)-N-tert-butyl-4-cyano-2-methylpent-2-enamide (PubChem CID 140554470) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is (E)-N-tert-butyl-4-cyano-2-methylpent-2-enamide.

Molecular Properties

Compound Name(E)-N-tert-butyl-4-cyano-2-methylpent-2-enamide
PubChem CID140554470
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name(E)-N-tert-butyl-4-cyano-2-methylpent-2-enamide
SMILESC/C(=C\C(C)C#N)C(=O)NC(C)(C)C
InChIInChI=1S/C11H18N2O/c1-8(7-12)6-9(2)10(14)13-11(3,4)5/h6,8H,1-5H3,(H,13,14)/b9-6+
InChIKeyDGQPLVWJDISEJI-RMKNXTFCSA-N
XLogP2.01
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-N-tert-butyl-4-cyano-2-methylpent-2-enamide?
The IUPAC name of (E)-N-tert-butyl-4-cyano-2-methylpent-2-enamide (CID 140554470) is (E)-N-tert-butyl-4-cyano-2-methylpent-2-enamide.
What is the SMILES notation for (E)-N-tert-butyl-4-cyano-2-methylpent-2-enamide?
The canonical SMILES for (E)-N-tert-butyl-4-cyano-2-methylpent-2-enamide is C/C(=C\C(C)C#N)C(=O)NC(C)(C)C.
What is the InChIKey of (E)-N-tert-butyl-4-cyano-2-methylpent-2-enamide?
The InChIKey is DGQPLVWJDISEJI-RMKNXTFCSA-N. The full InChI is InChI=1S/C11H18N2O/c1-8(7-12)6-9(2)10(14)13-11(3,4)5/h6,8H,1-5H3,(H,13,14)/b9-6+.
What are the key properties of (E)-N-tert-butyl-4-cyano-2-methylpent-2-enamide?
(E)-N-tert-butyl-4-cyano-2-methylpent-2-enamide has a molecular weight of 194.28 g/mol, XLogP of 2.01, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-tert-butyl-4-cyano-2-methylpent-2-enamide is sourced from PubChem (CID 140554470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).