(E)-N-butyl-2-methylbut-2-enamide

C9H17NO — CID 14316393

IUPAC(E)-N-butyl-2-methylbut-2-enamide
SMILESC/C=C(\C)C(=O)NCCCC
InChIInChI=1S/C9H17NO/c1-4-6-7-10-9(11)8(3)5-2/h5H,4,6-7H2,1-3H3,(H,10,11)/b8-5+
InChIKeyCUNVIHJTVAOLGW-VMPITWQZSA-N
MW155.24 g/mol
LogP1.87
Rot. Bonds4

About (E)-N-butyl-2-methylbut-2-enamide

(E)-N-butyl-2-methylbut-2-enamide (PubChem CID 14316393) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is (E)-N-butyl-2-methylbut-2-enamide.

Molecular Properties

Compound Name(E)-N-butyl-2-methylbut-2-enamide
PubChem CID14316393
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name(E)-N-butyl-2-methylbut-2-enamide
SMILESC/C=C(\C)C(=O)NCCCC
InChIInChI=1S/C9H17NO/c1-4-6-7-10-9(11)8(3)5-2/h5H,4,6-7H2,1-3H3,(H,10,11)/b8-5+
InChIKeyCUNVIHJTVAOLGW-VMPITWQZSA-N
XLogP1.87
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-N-butyl-2-methylbut-2-enamide?
The IUPAC name of (E)-N-butyl-2-methylbut-2-enamide (CID 14316393) is (E)-N-butyl-2-methylbut-2-enamide.
What is the SMILES notation for (E)-N-butyl-2-methylbut-2-enamide?
The canonical SMILES for (E)-N-butyl-2-methylbut-2-enamide is C/C=C(\C)C(=O)NCCCC.
What is the InChIKey of (E)-N-butyl-2-methylbut-2-enamide?
The InChIKey is CUNVIHJTVAOLGW-VMPITWQZSA-N. The full InChI is InChI=1S/C9H17NO/c1-4-6-7-10-9(11)8(3)5-2/h5H,4,6-7H2,1-3H3,(H,10,11)/b8-5+.
What are the key properties of (E)-N-butyl-2-methylbut-2-enamide?
(E)-N-butyl-2-methylbut-2-enamide has a molecular weight of 155.24 g/mol, XLogP of 1.87, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-butyl-2-methylbut-2-enamide is sourced from PubChem (CID 14316393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).