(E)-N-tert-butyl-5-cyano-2-methylpent-2-enamide

C11H18N2O — CID 140554443

IUPAC(E)-N-tert-butyl-5-cyano-2-methylpent-2-enamide
SMILESC/C(=C\CCC#N)C(=O)NC(C)(C)C
InChIInChI=1S/C11H18N2O/c1-9(7-5-6-8-12)10(14)13-11(2,3)4/h7H,5-6H2,1-4H3,(H,13,14)/b9-7+
InChIKeyKCPSBXPFTLNCOW-VQHVLOKHSA-N
MW194.28 g/mol
LogP2.15
Rot. Bonds3

About (E)-N-tert-butyl-5-cyano-2-methylpent-2-enamide

(E)-N-tert-butyl-5-cyano-2-methylpent-2-enamide (PubChem CID 140554443) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is (E)-N-tert-butyl-5-cyano-2-methylpent-2-enamide.

Molecular Properties

Compound Name(E)-N-tert-butyl-5-cyano-2-methylpent-2-enamide
PubChem CID140554443
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name(E)-N-tert-butyl-5-cyano-2-methylpent-2-enamide
SMILESC/C(=C\CCC#N)C(=O)NC(C)(C)C
InChIInChI=1S/C11H18N2O/c1-9(7-5-6-8-12)10(14)13-11(2,3)4/h7H,5-6H2,1-4H3,(H,13,14)/b9-7+
InChIKeyKCPSBXPFTLNCOW-VQHVLOKHSA-N
XLogP2.15
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (E)-N-tert-butyl-5-cyano-2-methylpent-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (E)-N-tert-butyl-5-cyano-2-methylpent-2-enamide?
The IUPAC name of (E)-N-tert-butyl-5-cyano-2-methylpent-2-enamide (CID 140554443) is (E)-N-tert-butyl-5-cyano-2-methylpent-2-enamide.
What is the SMILES notation for (E)-N-tert-butyl-5-cyano-2-methylpent-2-enamide?
The canonical SMILES for (E)-N-tert-butyl-5-cyano-2-methylpent-2-enamide is C/C(=C\CCC#N)C(=O)NC(C)(C)C.
What is the InChIKey of (E)-N-tert-butyl-5-cyano-2-methylpent-2-enamide?
The InChIKey is KCPSBXPFTLNCOW-VQHVLOKHSA-N. The full InChI is InChI=1S/C11H18N2O/c1-9(7-5-6-8-12)10(14)13-11(2,3)4/h7H,5-6H2,1-4H3,(H,13,14)/b9-7+.
What are the key properties of (E)-N-tert-butyl-5-cyano-2-methylpent-2-enamide?
(E)-N-tert-butyl-5-cyano-2-methylpent-2-enamide has a molecular weight of 194.28 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-tert-butyl-5-cyano-2-methylpent-2-enamide is sourced from PubChem (CID 140554443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).