(E)-N-(4-hydroxycyclohexyl)-2-methylpent-2-enamide

C12H21NO2 — CID 43508881

IUPAC(E)-N-(4-hydroxycyclohexyl)-2-methylpent-2-enamide
SMILESCC/C=C(\C)C(=O)NC1CCC(O)CC1
InChIInChI=1S/C12H21NO2/c1-3-4-9(2)12(15)13-10-5-7-11(14)8-6-10/h4,10-11,14H,3,5-8H2,1-2H3,(H,13,15)/b9-4+
InChIKeyREJSCWCRVXLVMJ-RUDMXATFSA-N
MW211.30 g/mol
LogP1.76
Rot. Bonds3

About (E)-N-(4-hydroxycyclohexyl)-2-methylpent-2-enamide

(E)-N-(4-hydroxycyclohexyl)-2-methylpent-2-enamide (PubChem CID 43508881) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is (E)-N-(4-hydroxycyclohexyl)-2-methylpent-2-enamide.

Molecular Properties

Compound Name(E)-N-(4-hydroxycyclohexyl)-2-methylpent-2-enamide
PubChem CID43508881
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC Name(E)-N-(4-hydroxycyclohexyl)-2-methylpent-2-enamide
SMILESCC/C=C(\C)C(=O)NC1CCC(O)CC1
InChIInChI=1S/C12H21NO2/c1-3-4-9(2)12(15)13-10-5-7-11(14)8-6-10/h4,10-11,14H,3,5-8H2,1-2H3,(H,13,15)/b9-4+
InChIKeyREJSCWCRVXLVMJ-RUDMXATFSA-N
XLogP1.76
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 51.76
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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Related Compounds

N-(azetidin-3-yl)-2-methylpent-2-enamide
CID 77114451
2-[[(E)-2-methylpent-2-enoyl]amino]cyclohexane-1-carboxamide
CID 132969236
(E)-N-cyclopentyl-2-methylbut-2-enamide
CID 89351716
N-(4-hydroxycyclohexyl)dodecanamide
CID 61380713
(E)-N-cyclohexyl-2-methylbut-2-enamide
CID 14316395
N-cyclopropyl-2-[(4-hydroxycyclohexyl)methylamino]propanamide
CID 114147898
2-(butan-2-ylamino)-N-(4-hydroxycyclohexyl)acetamide
CID 60852285
(cyclohexylamino) 2-methylpent-2-enoate
CID 174632655
2-methyl-N-(piperidin-4-ylmethyl)pent-2-enamide
CID 76923281
N-(2-aminoethyl)-N'-(4-hydroxycyclohexyl)oxamide
CID 43315763
2-diethoxyphosphoryl-N-(4-hydroxycyclohexyl)acetamide
CID 86592927
1-(4-hydroxycyclohexyl)-3-(4-methylcyclohexyl)urea
CID 47164010

Frequently Asked Questions

What is the IUPAC name of (E)-N-(4-hydroxycyclohexyl)-2-methylpent-2-enamide?
The IUPAC name of (E)-N-(4-hydroxycyclohexyl)-2-methylpent-2-enamide (CID 43508881) is (E)-N-(4-hydroxycyclohexyl)-2-methylpent-2-enamide.
What is the SMILES notation for (E)-N-(4-hydroxycyclohexyl)-2-methylpent-2-enamide?
The canonical SMILES for (E)-N-(4-hydroxycyclohexyl)-2-methylpent-2-enamide is CC/C=C(\C)C(=O)NC1CCC(O)CC1.
What is the InChIKey of (E)-N-(4-hydroxycyclohexyl)-2-methylpent-2-enamide?
The InChIKey is REJSCWCRVXLVMJ-RUDMXATFSA-N. The full InChI is InChI=1S/C12H21NO2/c1-3-4-9(2)12(15)13-10-5-7-11(14)8-6-10/h4,10-11,14H,3,5-8H2,1-2H3,(H,13,15)/b9-4+.
What are the key properties of (E)-N-(4-hydroxycyclohexyl)-2-methylpent-2-enamide?
(E)-N-(4-hydroxycyclohexyl)-2-methylpent-2-enamide has a molecular weight of 211.30 g/mol, XLogP of 1.76, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(4-hydroxycyclohexyl)-2-methylpent-2-enamide is sourced from PubChem (CID 43508881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).