N-[(1R,2R)-2-hydroxycyclohexyl]but-2-ynamide

C10H15NO2 — CID 107989705

IUPACN-[(1R,2R)-2-hydroxycyclohexyl]but-2-ynamide
SMILESCC#CC(=O)N[C@@H]1CCCC[C@H]1O
InChIInChI=1S/C10H15NO2/c1-2-5-10(13)11-8-6-3-4-7-9(8)12/h8-9,12H,3-4,6-7H2,1H3,(H,11,13)/t8-,9-/m1/s1
InChIKeyIESYZFSWJMTYOV-RKDXNWHRSA-N
MW181.23 g/mol
LogP0.43
Rot. Bonds1

About N-[(1R,2R)-2-hydroxycyclohexyl]but-2-ynamide

N-[(1R,2R)-2-hydroxycyclohexyl]but-2-ynamide (PubChem CID 107989705) has the molecular formula C10H15NO2 and a molecular weight of 181.23 g/mol. Its IUPAC name is N-[(1R,2R)-2-hydroxycyclohexyl]but-2-ynamide.

Molecular Properties

Compound NameN-[(1R,2R)-2-hydroxycyclohexyl]but-2-ynamide
PubChem CID107989705
Molecular FormulaC10H15NO2
Molecular Weight181.23 g/mol
Exact Mass181.11
IUPAC NameN-[(1R,2R)-2-hydroxycyclohexyl]but-2-ynamide
SMILESCC#CC(=O)N[C@@H]1CCCC[C@H]1O
InChIInChI=1S/C10H15NO2/c1-2-5-10(13)11-8-6-3-4-7-9(8)12/h8-9,12H,3-4,6-7H2,1H3,(H,11,13)/t8-,9-/m1/s1
InChIKeyIESYZFSWJMTYOV-RKDXNWHRSA-N
XLogP0.43
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

N-(2-dimethylphosphorylcyclohexyl)but-2-ynamide
CID 146098164
N-[(1S,2S)-2-hydroxycycloheptyl]acetamide
CID 101001127
N-[(1R,2R)-2-hydroxycyclohexyl]acetamide;hydrochloride
CID 172759321
N-[(1R,2S)-2-hydroxycyclopentyl]acetamide
CID 14988808
3-[(1R,2R)-2-hydroxycyclohexyl]-1,1-dimethylurea
CID 40636941
N-(2-hydroxycyclopentyl)-3-oxobutanamide
CID 127002121
2-hydroxy-N-[(1R,2R)-2-hydroxycycloheptyl]acetamide
CID 130693023
N-[(1S,2S)-2-hydroxycyclooctyl]cyclopropanecarboxamide
CID 146041512
cis-(1R,3S)-3-[[(1R,2R)-2-hydroxycyclohexyl]carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 114093239
3-[(2-hydroxycyclohexyl)carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 64834681
N-[(1S,2R)-2-hydroxycyclopentyl]carbamoyl iodide
CID 122536489
N-(2-hydroxycyclohexyl)-2,2-dimethylcyclopropane-1-carboxamide
CID 103855439

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-2-hydroxycyclohexyl]but-2-ynamide?
The IUPAC name of N-[(1R,2R)-2-hydroxycyclohexyl]but-2-ynamide (CID 107989705) is N-[(1R,2R)-2-hydroxycyclohexyl]but-2-ynamide.
What is the SMILES notation for N-[(1R,2R)-2-hydroxycyclohexyl]but-2-ynamide?
The canonical SMILES for N-[(1R,2R)-2-hydroxycyclohexyl]but-2-ynamide is CC#CC(=O)N[C@@H]1CCCC[C@H]1O.
What is the InChIKey of N-[(1R,2R)-2-hydroxycyclohexyl]but-2-ynamide?
The InChIKey is IESYZFSWJMTYOV-RKDXNWHRSA-N. The full InChI is InChI=1S/C10H15NO2/c1-2-5-10(13)11-8-6-3-4-7-9(8)12/h8-9,12H,3-4,6-7H2,1H3,(H,11,13)/t8-,9-/m1/s1.
What are the key properties of N-[(1R,2R)-2-hydroxycyclohexyl]but-2-ynamide?
N-[(1R,2R)-2-hydroxycyclohexyl]but-2-ynamide has a molecular weight of 181.23 g/mol, XLogP of 0.43, 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]but-2-ynamide is sourced from PubChem (CID 107989705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).