N-[2-(hydroxymethyl)cyclohexyl]prop-2-ynamide

C10H15NO2 — CID 103860466

IUPACN-[2-(hydroxymethyl)cyclohexyl]prop-2-ynamide
SMILESC#CC(=O)NC1CCCCC1CO
InChIInChI=1S/C10H15NO2/c1-2-10(13)11-9-6-4-3-5-8(9)7-12/h1,8-9,12H,3-7H2,(H,11,13)
InChIKeyVPYYKKZLFHERIP-UHFFFAOYSA-N
MW181.23 g/mol
LogP0.29
Rot. Bonds2

About N-[2-(hydroxymethyl)cyclohexyl]prop-2-ynamide

N-[2-(hydroxymethyl)cyclohexyl]prop-2-ynamide (PubChem CID 103860466) has the molecular formula C10H15NO2 and a molecular weight of 181.23 g/mol. Its IUPAC name is N-[2-(hydroxymethyl)cyclohexyl]prop-2-ynamide.

Molecular Properties

Compound NameN-[2-(hydroxymethyl)cyclohexyl]prop-2-ynamide
PubChem CID103860466
Molecular FormulaC10H15NO2
Molecular Weight181.23 g/mol
Exact Mass181.11
IUPAC NameN-[2-(hydroxymethyl)cyclohexyl]prop-2-ynamide
SMILESC#CC(=O)NC1CCCCC1CO
InChIInChI=1S/C10H15NO2/c1-2-10(13)11-9-6-4-3-5-8(9)7-12/h1,8-9,12H,3-7H2,(H,11,13)
InChIKeyVPYYKKZLFHERIP-UHFFFAOYSA-N
XLogP0.29
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 50.29
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-(2-hydroxyethyl)cyclopentyl]prop-2-ynamide
CID 130650594
[(1R,2R)-2-(hydroxymethyl)cyclohexyl]carbamic acid
CID 141194189
N-[2-(hydroxymethyl)cyclohexyl]cyclooctanecarboxamide
CID 103860474
[(1R,2S)-2-(hydroxymethyl)cyclopentyl]urea
CID 131092066
N-[2-(hydroxymethyl)cyclopentyl]-2,2-dimethylpropanamide
CID 103751419
N-[2-(hydroxymethyl)cyclopentyl]-2-(prop-2-ynylamino)acetamide
CID 106361263
[(1R,2R)-2-(prop-2-ynylamino)cyclohexyl]methanol
CID 130608522
4-[[2-(hydroxymethyl)cyclohexyl]amino]-4-oxobutanoic acid
CID 106359284
methyl N-[(1R,2S)-2-(hydroxymethyl)cyclopentyl]carbamate
CID 130640113
1-butyl-3-[(1R,2S)-2-(hydroxymethyl)cyclohexyl]urea
CID 96569161
2-cyclohexyl-N-[2-(hydroxymethyl)cyclopentyl]acetamide
CID 103751275
3,3,3-trifluoro-N-[2-(hydroxymethyl)cyclohexyl]propanamide
CID 103816678

Frequently Asked Questions

What is the IUPAC name of N-[2-(hydroxymethyl)cyclohexyl]prop-2-ynamide?
The IUPAC name of N-[2-(hydroxymethyl)cyclohexyl]prop-2-ynamide (CID 103860466) is N-[2-(hydroxymethyl)cyclohexyl]prop-2-ynamide.
What is the SMILES notation for N-[2-(hydroxymethyl)cyclohexyl]prop-2-ynamide?
The canonical SMILES for N-[2-(hydroxymethyl)cyclohexyl]prop-2-ynamide is C#CC(=O)NC1CCCCC1CO.
What is the InChIKey of N-[2-(hydroxymethyl)cyclohexyl]prop-2-ynamide?
The InChIKey is VPYYKKZLFHERIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2/c1-2-10(13)11-9-6-4-3-5-8(9)7-12/h1,8-9,12H,3-7H2,(H,11,13).
What are the key properties of N-[2-(hydroxymethyl)cyclohexyl]prop-2-ynamide?
N-[2-(hydroxymethyl)cyclohexyl]prop-2-ynamide has a molecular weight of 181.23 g/mol, XLogP of 0.29, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(hydroxymethyl)cyclohexyl]prop-2-ynamide is sourced from PubChem (CID 103860466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).