2-cyano-N-(2-hydroxycyclohexyl)acetamide

C9H14N2O2 — CID 62358723

IUPAC2-cyano-N-(2-hydroxycyclohexyl)acetamide
SMILESN#CCC(=O)NC1CCCCC1O
InChIInChI=1S/C9H14N2O2/c10-6-5-9(13)11-7-3-1-2-4-8(7)12/h7-8,12H,1-5H2,(H,11,13)
InChIKeyZGCJWNYYMKLVNC-UHFFFAOYSA-N
MW182.22 g/mol
LogP0.32
Rot. Bonds2

About 2-cyano-N-(2-hydroxycyclohexyl)acetamide

2-cyano-N-(2-hydroxycyclohexyl)acetamide (PubChem CID 62358723) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is 2-cyano-N-(2-hydroxycyclohexyl)acetamide.

Molecular Properties

Compound Name2-cyano-N-(2-hydroxycyclohexyl)acetamide
PubChem CID62358723
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Name2-cyano-N-(2-hydroxycyclohexyl)acetamide
SMILESN#CCC(=O)NC1CCCCC1O
InChIInChI=1S/C9H14N2O2/c10-6-5-9(13)11-7-3-1-2-4-8(7)12/h7-8,12H,1-5H2,(H,11,13)
InChIKeyZGCJWNYYMKLVNC-UHFFFAOYSA-N
XLogP0.32
TPSA73.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(cyanomethylsulfanyl)-N-[(1S,2S)-2-hydroxycyclohexyl]acetamide
CID 104957139
2-hydroxy-N-[(1R,2R)-2-hydroxycycloheptyl]acetamide
CID 130693023
2-cyano-N-cyclopentylacetamide
CID 5093205
2-bromo-N-(2-hydroxycyclohexyl)acetamide
CID 63680498
N-[(1R,2S)-2-hydroxycyclohexyl]-N'-[(1S,2R)-2-hydroxycyclohexyl]hexanediamide
CID 40600214
2-bromo-N-(2-hydroxycyclopentyl)acetamide
CID 127002056
2-(dimethylamino)-N-[(1S,2S)-2-hydroxycyclohexyl]acetamide
CID 104969353
N-(2-hydroxycyclohexyl)-3,3-dimethylbutanamide
CID 62358678
N-(2-hydroxycyclopentyl)-3-oxobutanamide
CID 127002121
4-chloro-N-[(1R,2R)-2-hydroxycyclohexyl]butanamide
CID 107216783
5-hydroxy-N-(2-hydroxycyclohexyl)pentanamide
CID 79199015
N-(2-hydroxycyclohexyl)-2-(prop-2-ynylamino)acetamide
CID 79272522

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-(2-hydroxycyclohexyl)acetamide?
The IUPAC name of 2-cyano-N-(2-hydroxycyclohexyl)acetamide (CID 62358723) is 2-cyano-N-(2-hydroxycyclohexyl)acetamide.
What is the SMILES notation for 2-cyano-N-(2-hydroxycyclohexyl)acetamide?
The canonical SMILES for 2-cyano-N-(2-hydroxycyclohexyl)acetamide is N#CCC(=O)NC1CCCCC1O.
What is the InChIKey of 2-cyano-N-(2-hydroxycyclohexyl)acetamide?
The InChIKey is ZGCJWNYYMKLVNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2/c10-6-5-9(13)11-7-3-1-2-4-8(7)12/h7-8,12H,1-5H2,(H,11,13).
What are the key properties of 2-cyano-N-(2-hydroxycyclohexyl)acetamide?
2-cyano-N-(2-hydroxycyclohexyl)acetamide has a molecular weight of 182.22 g/mol, XLogP of 0.32, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-(2-hydroxycyclohexyl)acetamide is sourced from PubChem (CID 62358723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).