(E)-N-[2-(hydroxymethyl)cyclohexyl]but-2-enamide

C11H19NO2 — CID 103860441

IUPAC(E)-N-[2-(hydroxymethyl)cyclohexyl]but-2-enamide
SMILESC/C=C/C(=O)NC1CCCCC1CO
InChIInChI=1S/C11H19NO2/c1-2-5-11(14)12-10-7-4-3-6-9(10)8-13/h2,5,9-10,13H,3-4,6-8H2,1H3,(H,12,14)/b5-2+
InChIKeyDKXLMSBIXRDZPI-GORDUTHDSA-N
MW197.28 g/mol
LogP1.23
Rot. Bonds3

About (E)-N-[2-(hydroxymethyl)cyclohexyl]but-2-enamide

(E)-N-[2-(hydroxymethyl)cyclohexyl]but-2-enamide (PubChem CID 103860441) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is (E)-N-[2-(hydroxymethyl)cyclohexyl]but-2-enamide.

Molecular Properties

Compound Name(E)-N-[2-(hydroxymethyl)cyclohexyl]but-2-enamide
PubChem CID103860441
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name(E)-N-[2-(hydroxymethyl)cyclohexyl]but-2-enamide
SMILESC/C=C/C(=O)NC1CCCCC1CO
InChIInChI=1S/C11H19NO2/c1-2-5-11(14)12-10-7-4-3-6-9(10)8-13/h2,5,9-10,13H,3-4,6-8H2,1H3,(H,12,14)/b5-2+
InChIKeyDKXLMSBIXRDZPI-GORDUTHDSA-N
XLogP1.23
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.23
H-Bond Donors ≤ 52
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-(hydroxymethyl)cyclohexyl]but-2-enamide?
The IUPAC name of (E)-N-[2-(hydroxymethyl)cyclohexyl]but-2-enamide (CID 103860441) is (E)-N-[2-(hydroxymethyl)cyclohexyl]but-2-enamide.
What is the SMILES notation for (E)-N-[2-(hydroxymethyl)cyclohexyl]but-2-enamide?
The canonical SMILES for (E)-N-[2-(hydroxymethyl)cyclohexyl]but-2-enamide is C/C=C/C(=O)NC1CCCCC1CO.
What is the InChIKey of (E)-N-[2-(hydroxymethyl)cyclohexyl]but-2-enamide?
The InChIKey is DKXLMSBIXRDZPI-GORDUTHDSA-N. The full InChI is InChI=1S/C11H19NO2/c1-2-5-11(14)12-10-7-4-3-6-9(10)8-13/h2,5,9-10,13H,3-4,6-8H2,1H3,(H,12,14)/b5-2+.
What are the key properties of (E)-N-[2-(hydroxymethyl)cyclohexyl]but-2-enamide?
(E)-N-[2-(hydroxymethyl)cyclohexyl]but-2-enamide has a molecular weight of 197.28 g/mol, XLogP of 1.23, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[2-(hydroxymethyl)cyclohexyl]but-2-enamide is sourced from PubChem (CID 103860441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).