N-(4-hydroxy-2-methylcyclohexyl)prop-2-enamide

C10H17NO2 — CID 67745042

IUPACN-(4-hydroxy-2-methylcyclohexyl)prop-2-enamide
SMILESC=CC(=O)NC1CCC(O)CC1C
InChIInChI=1S/C10H17NO2/c1-3-10(13)11-9-5-4-8(12)6-7(9)2/h3,7-9,12H,1,4-6H2,2H3,(H,11,13)
InChIKeyLXZREVOWMXKGBH-UHFFFAOYSA-N
MW183.25 g/mol
LogP0.84
Rot. Bonds2

About N-(4-hydroxy-2-methylcyclohexyl)prop-2-enamide

N-(4-hydroxy-2-methylcyclohexyl)prop-2-enamide (PubChem CID 67745042) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is N-(4-hydroxy-2-methylcyclohexyl)prop-2-enamide.

Molecular Properties

Compound NameN-(4-hydroxy-2-methylcyclohexyl)prop-2-enamide
PubChem CID67745042
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC NameN-(4-hydroxy-2-methylcyclohexyl)prop-2-enamide
SMILESC=CC(=O)NC1CCC(O)CC1C
InChIInChI=1S/C10H17NO2/c1-3-10(13)11-9-5-4-8(12)6-7(9)2/h3,7-9,12H,1,4-6H2,2H3,(H,11,13)
InChIKeyLXZREVOWMXKGBH-UHFFFAOYSA-N
XLogP0.84
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 50.84
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-[(3-hydroxycyclohexyl)methyl]prop-2-enamide
CID 57165167
N-[(4-hydroxycyclohexyl)methyl]prop-2-enamide
CID 106124120
N-[[3-(2-hydroxybutyl)cyclohexyl]methyl]prop-2-enamide
CID 121383948
1-(4-Hydroxy-2,6-dimethylcyclohexyl)pyrrole-2,5-dione
CID 140003573
N-(4-hydroxy-2,6-dimethylcyclohexyl)-2-methylprop-2-enamide
CID 140003576
N-(4-hydroxy-2-methylcyclohexyl)acetamide
CID 140495269
N-[2-(1-hydroxyethyl)hexyl]prop-2-enamide
CID 142644638
N-(4-hydroxy-3,5-dimethylcyclohexyl)prop-2-enamide
CID 149621255
N-(4-hydroxy-2,6-dimethylcyclohexyl)prop-2-enamide
CID 149714861
N-[(2-hydroxycyclohexyl)methyl]prop-2-enamide
CID 64928923
(E)-N-[(3-hydroxycyclohexyl)methyl]but-2-enamide
CID 103690881
(E)-N-[2-(hydroxymethyl)cyclohexyl]but-2-enamide
CID 103860441

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxy-2-methylcyclohexyl)prop-2-enamide?
The IUPAC name of N-(4-hydroxy-2-methylcyclohexyl)prop-2-enamide (CID 67745042) is N-(4-hydroxy-2-methylcyclohexyl)prop-2-enamide.
What is the SMILES notation for N-(4-hydroxy-2-methylcyclohexyl)prop-2-enamide?
The canonical SMILES for N-(4-hydroxy-2-methylcyclohexyl)prop-2-enamide is C=CC(=O)NC1CCC(O)CC1C.
What is the InChIKey of N-(4-hydroxy-2-methylcyclohexyl)prop-2-enamide?
The InChIKey is LXZREVOWMXKGBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2/c1-3-10(13)11-9-5-4-8(12)6-7(9)2/h3,7-9,12H,1,4-6H2,2H3,(H,11,13).
What are the key properties of N-(4-hydroxy-2-methylcyclohexyl)prop-2-enamide?
N-(4-hydroxy-2-methylcyclohexyl)prop-2-enamide has a molecular weight of 183.25 g/mol, XLogP of 0.84, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxy-2-methylcyclohexyl)prop-2-enamide is sourced from PubChem (CID 67745042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).