N-[(1R,2R)-2-hydroxycyclohexyl]acetamide;hydrochloride

C8H16ClNO2 — CID 172759321

IUPACN-[(1R,2R)-2-hydroxycyclohexyl]acetamide;hydrochloride
SMILESCC(=O)N[C@@H]1CCCC[C@H]1O.Cl
InChIInChI=1S/C8H15NO2.ClH/c1-6(10)9-7-4-2-3-5-8(7)11;/h7-8,11H,2-5H2,1H3,(H,9,10);1H/t7-,8-;/m1./s1
InChIKeyLLSXLNBZJRPNDA-SCLLHFNJSA-N
MW193.67 g/mol
LogP0.85
Rot. Bonds1

About N-[(1R,2R)-2-hydroxycyclohexyl]acetamide;hydrochloride

N-[(1R,2R)-2-hydroxycyclohexyl]acetamide;hydrochloride (PubChem CID 172759321) has the molecular formula C8H16ClNO2 and a molecular weight of 193.67 g/mol. Its IUPAC name is N-[(1R,2R)-2-hydroxycyclohexyl]acetamide;hydrochloride.

Molecular Properties

Compound NameN-[(1R,2R)-2-hydroxycyclohexyl]acetamide;hydrochloride
PubChem CID172759321
Molecular FormulaC8H16ClNO2
Molecular Weight193.67 g/mol
Exact Mass193.09
IUPAC NameN-[(1R,2R)-2-hydroxycyclohexyl]acetamide;hydrochloride
SMILESCC(=O)N[C@@H]1CCCC[C@H]1O.Cl
InChIInChI=1S/C8H15NO2.ClH/c1-6(10)9-7-4-2-3-5-8(7)11;/h7-8,11H,2-5H2,1H3,(H,9,10);1H/t7-,8-;/m1./s1
InChIKeyLLSXLNBZJRPNDA-SCLLHFNJSA-N
XLogP0.85
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.67
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1S,2S)-2-hydroxycycloheptyl]acetamide
CID 101001127
N-[(1R,2S)-2-hydroxycyclopentyl]acetamide
CID 14988808
N-[(1R,2S,3S)-2,3-dihydroxycyclohexyl]acetamide
CID 101197936
2-acetamido-N-[(1S,2S)-2-hydroxycyclooctyl]acetamide
CID 146041857
3-[(1R,2R)-2-hydroxycyclohexyl]-1,1-dimethylurea
CID 40636941
N-[(2R)-2-chlorocyclohexyl]acetamide
CID 18526491
N-(2-hydroxycyclopentyl)-3-oxobutanamide
CID 127002121
N-(5-acetamido-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)acetamide
CID 21439703
4-acetamido-N-[(1R,2R)-2-hydroxycyclohexyl]benzamide
CID 104927556
N-[(1S,2S)-2-[(1S,2S)-2-acetamidocyclohexyl]selanylcyclohexyl]acetamide
CID 10981236
2-hydroxy-N-[(1R,2R)-2-hydroxycycloheptyl]acetamide
CID 130693023
N-[(3S,4S)-4-hydroxypyrrolidin-3-yl]acetamide;hydrochloride
CID 67315196

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-2-hydroxycyclohexyl]acetamide;hydrochloride?
The IUPAC name of N-[(1R,2R)-2-hydroxycyclohexyl]acetamide;hydrochloride (CID 172759321) is N-[(1R,2R)-2-hydroxycyclohexyl]acetamide;hydrochloride.
What is the SMILES notation for N-[(1R,2R)-2-hydroxycyclohexyl]acetamide;hydrochloride?
The canonical SMILES for N-[(1R,2R)-2-hydroxycyclohexyl]acetamide;hydrochloride is CC(=O)N[C@@H]1CCCC[C@H]1O.Cl.
What is the InChIKey of N-[(1R,2R)-2-hydroxycyclohexyl]acetamide;hydrochloride?
The InChIKey is LLSXLNBZJRPNDA-SCLLHFNJSA-N. The full InChI is InChI=1S/C8H15NO2.ClH/c1-6(10)9-7-4-2-3-5-8(7)11;/h7-8,11H,2-5H2,1H3,(H,9,10);1H/t7-,8-;/m1./s1.
What are the key properties of N-[(1R,2R)-2-hydroxycyclohexyl]acetamide;hydrochloride?
N-[(1R,2R)-2-hydroxycyclohexyl]acetamide;hydrochloride has a molecular weight of 193.67 g/mol, XLogP of 0.85, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-2-hydroxycyclohexyl]acetamide;hydrochloride is sourced from PubChem (CID 172759321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).