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

C11H19NO2 — CID 102631755

IUPAC(E)-N-(2-hydroxycyclohexyl)-N-methylbut-2-enamide
SMILESC/C=C/C(=O)N(C)C1CCCCC1O
InChIInChI=1S/C11H19NO2/c1-3-6-11(14)12(2)9-7-4-5-8-10(9)13/h3,6,9-10,13H,4-5,7-8H2,1-2H3/b6-3+
InChIKeyTZSDRKLVRKDZQR-ZZXKWVIFSA-N
MW197.28 g/mol
LogP1.32
Rot. Bonds2

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

(E)-N-(2-hydroxycyclohexyl)-N-methylbut-2-enamide (PubChem CID 102631755) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is (E)-N-(2-hydroxycyclohexyl)-N-methylbut-2-enamide.

Molecular Properties

Compound Name(E)-N-(2-hydroxycyclohexyl)-N-methylbut-2-enamide
PubChem CID102631755
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name(E)-N-(2-hydroxycyclohexyl)-N-methylbut-2-enamide
SMILESC/C=C/C(=O)N(C)C1CCCCC1O
InChIInChI=1S/C11H19NO2/c1-3-6-11(14)12(2)9-7-4-5-8-10(9)13/h3,6,9-10,13H,4-5,7-8H2,1-2H3/b6-3+
InChIKeyTZSDRKLVRKDZQR-ZZXKWVIFSA-N
XLogP1.32
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.32
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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Related Compounds

1-(4-Hydroxycyclohexyl)pyrrole-2,5-dione
CID 43198820
1-(2-Hydroxycyclohexyl)pyrrole-2,5-dione
CID 62360536
1-(3-Hydroxyhexan-2-yl)pyrrole-2,5-dione
CID 121483290
1-(1-Hydroxyhexan-2-yl)pyrrole-2,5-dione
CID 121483329
1-(2-Hydroxyhexan-3-yl)pyrrole-2,5-dione
CID 121483338
1-(4-Hydroxycyclohexyl)azonine-2,9-dione
CID 123873038
N-(4-Hydroxycyclohexyl)-N-methylprop-2-enamide
CID 137928740
3-Hydroxy-1-[2-(hydroxymethyl)piperidin-1-yl]but-2-en-1-one
CID 140606165
(2E,4Z,6Z)-N-formyl-N-(4-hydroxycyclohexyl)octa-2,4,6-trienamide;propane
CID 142233830
N-butyl-N-(2-hydroxycyclohexyl)-2-methylprop-2-enamide
CID 146344890
N-cyclohexyl-N-(2-hydroxypropyl)prop-2-enamide
CID 154142373
N-(2-hydroxycyclohexyl)-N-prop-1-en-2-ylacetamide
CID 164135791

Frequently Asked Questions

What is the IUPAC name of (E)-N-(2-hydroxycyclohexyl)-N-methylbut-2-enamide?
The IUPAC name of (E)-N-(2-hydroxycyclohexyl)-N-methylbut-2-enamide (CID 102631755) is (E)-N-(2-hydroxycyclohexyl)-N-methylbut-2-enamide.
What is the SMILES notation for (E)-N-(2-hydroxycyclohexyl)-N-methylbut-2-enamide?
The canonical SMILES for (E)-N-(2-hydroxycyclohexyl)-N-methylbut-2-enamide is C/C=C/C(=O)N(C)C1CCCCC1O.
What is the InChIKey of (E)-N-(2-hydroxycyclohexyl)-N-methylbut-2-enamide?
The InChIKey is TZSDRKLVRKDZQR-ZZXKWVIFSA-N. The full InChI is InChI=1S/C11H19NO2/c1-3-6-11(14)12(2)9-7-4-5-8-10(9)13/h3,6,9-10,13H,4-5,7-8H2,1-2H3/b6-3+.
What are the key properties of (E)-N-(2-hydroxycyclohexyl)-N-methylbut-2-enamide?
(E)-N-(2-hydroxycyclohexyl)-N-methylbut-2-enamide has a molecular weight of 197.28 g/mol, XLogP of 1.32, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2-hydroxycyclohexyl)-N-methylbut-2-enamide is sourced from PubChem (CID 102631755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).