(E)-N-(2-oxopiperidin-1-yl)but-2-enamide

C9H14N2O2 — CID 131237368

IUPAC(E)-N-(2-oxopiperidin-1-yl)but-2-enamide
SMILESC/C=C/C(=O)NN1CCCCC1=O
InChIInChI=1S/C9H14N2O2/c1-2-5-8(12)10-11-7-4-3-6-9(11)13/h2,5H,3-4,6-7H2,1H3,(H,10,12)/b5-2+
InChIKeyPEKWUGZJYVLOQS-GORDUTHDSA-N
MW182.22 g/mol
LogP0.61
Rot. Bonds2

About (E)-N-(2-oxopiperidin-1-yl)but-2-enamide

(E)-N-(2-oxopiperidin-1-yl)but-2-enamide (PubChem CID 131237368) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is (E)-N-(2-oxopiperidin-1-yl)but-2-enamide.

Molecular Properties

Compound Name(E)-N-(2-oxopiperidin-1-yl)but-2-enamide
PubChem CID131237368
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Name(E)-N-(2-oxopiperidin-1-yl)but-2-enamide
SMILESC/C=C/C(=O)NN1CCCCC1=O
InChIInChI=1S/C9H14N2O2/c1-2-5-8(12)10-11-7-4-3-6-9(11)13/h2,5H,3-4,6-7H2,1H3,(H,10,12)/b5-2+
InChIKeyPEKWUGZJYVLOQS-GORDUTHDSA-N
XLogP0.61
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 50.61
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-(2-oxopiperidin-1-yl)but-2-enamide?
The IUPAC name of (E)-N-(2-oxopiperidin-1-yl)but-2-enamide (CID 131237368) is (E)-N-(2-oxopiperidin-1-yl)but-2-enamide.
What is the SMILES notation for (E)-N-(2-oxopiperidin-1-yl)but-2-enamide?
The canonical SMILES for (E)-N-(2-oxopiperidin-1-yl)but-2-enamide is C/C=C/C(=O)NN1CCCCC1=O.
What is the InChIKey of (E)-N-(2-oxopiperidin-1-yl)but-2-enamide?
The InChIKey is PEKWUGZJYVLOQS-GORDUTHDSA-N. The full InChI is InChI=1S/C9H14N2O2/c1-2-5-8(12)10-11-7-4-3-6-9(11)13/h2,5H,3-4,6-7H2,1H3,(H,10,12)/b5-2+.
What are the key properties of (E)-N-(2-oxopiperidin-1-yl)but-2-enamide?
(E)-N-(2-oxopiperidin-1-yl)but-2-enamide has a molecular weight of 182.22 g/mol, XLogP of 0.61, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2-oxopiperidin-1-yl)but-2-enamide is sourced from PubChem (CID 131237368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).