2-[(1S,5R)-2,5-dimethylcyclopent-2-en-1-yl]-N-hydroxyacetamide

C9H15NO2 — CID 134966926

IUPAC2-[(1S,5R)-2,5-dimethylcyclopent-2-en-1-yl]-N-hydroxyacetamide
SMILESCC1=CC[C@@H](C)[C@@H]1CC(=O)NO
InChIInChI=1S/C9H15NO2/c1-6-3-4-7(2)8(6)5-9(11)10-12/h3,7-8,12H,4-5H2,1-2H3,(H,10,11)/t7-,8-/m1/s1
InChIKeyPMJKQNDQHNKCKB-HTQZYQBOSA-N
MW169.22 g/mol
LogP1.48
Rot. Bonds2

About 2-[(1S,5R)-2,5-dimethylcyclopent-2-en-1-yl]-N-hydroxyacetamide

2-[(1S,5R)-2,5-dimethylcyclopent-2-en-1-yl]-N-hydroxyacetamide (PubChem CID 134966926) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is 2-[(1S,5R)-2,5-dimethylcyclopent-2-en-1-yl]-N-hydroxyacetamide.

Molecular Properties

Compound Name2-[(1S,5R)-2,5-dimethylcyclopent-2-en-1-yl]-N-hydroxyacetamide
PubChem CID134966926
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Name2-[(1S,5R)-2,5-dimethylcyclopent-2-en-1-yl]-N-hydroxyacetamide
SMILESCC1=CC[C@@H](C)[C@@H]1CC(=O)NO
InChIInChI=1S/C9H15NO2/c1-6-3-4-7(2)8(6)5-9(11)10-12/h3,7-8,12H,4-5H2,1-2H3,(H,10,11)/t7-,8-/m1/s1
InChIKeyPMJKQNDQHNKCKB-HTQZYQBOSA-N
XLogP1.48
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2,5,6-trimethylcyclohex-2-en-1-yl) 3-oxobutanoate
CID 172538683
carbonic acid;1,4,5-trimethylcyclohexene
CID 70461884
2-(3,7-dimethylocta-2,6-dienyl)-3,6-dimethylcyclohex-3-ene-1-carbaldehyde
CID 123323171
2-[(1R,5R,6R)-6-(dimethoxymethyl)-2-methyl-5-propan-2-ylcyclohex-2-en-1-yl]acetic acid
CID 11021961
2-[(1R,3S)-3-ethyl-2,2-dimethylcyclobutyl]-N-hydroxyacetamide
CID 40517906
2-[(1S,2R)-2,4-dimethylcyclohex-3-en-1-yl]acetic acid
CID 89187199
(4R,5R)-1,4,5-trimethylcyclohexene
CID 13226239
1-[(1S,6S)-4,6-dimethylcyclohex-3-en-1-yl]ethanone
CID 58114065
methyl 5,6-dimethyl-2-(2-methylbutyl)-3,6-dihydro-2H-pyridine-1-carboxylate
CID 91232421
1-(4-methylcyclohex-3-en-1-yl)propane-1,2-dione
CID 130027299
methyl (5S)-2,5,6,6-tetramethylcyclohex-2-ene-1-carboxylate
CID 11481009
methyl 2-[(1S,6R)-6-hydroxy-3-methylcyclohex-3-en-1-yl]acetate
CID 131155991

Frequently Asked Questions

What is the IUPAC name of 2-[(1S,5R)-2,5-dimethylcyclopent-2-en-1-yl]-N-hydroxyacetamide?
The IUPAC name of 2-[(1S,5R)-2,5-dimethylcyclopent-2-en-1-yl]-N-hydroxyacetamide (CID 134966926) is 2-[(1S,5R)-2,5-dimethylcyclopent-2-en-1-yl]-N-hydroxyacetamide.
What is the SMILES notation for 2-[(1S,5R)-2,5-dimethylcyclopent-2-en-1-yl]-N-hydroxyacetamide?
The canonical SMILES for 2-[(1S,5R)-2,5-dimethylcyclopent-2-en-1-yl]-N-hydroxyacetamide is CC1=CC[C@@H](C)[C@@H]1CC(=O)NO.
What is the InChIKey of 2-[(1S,5R)-2,5-dimethylcyclopent-2-en-1-yl]-N-hydroxyacetamide?
The InChIKey is PMJKQNDQHNKCKB-HTQZYQBOSA-N. The full InChI is InChI=1S/C9H15NO2/c1-6-3-4-7(2)8(6)5-9(11)10-12/h3,7-8,12H,4-5H2,1-2H3,(H,10,11)/t7-,8-/m1/s1.
What are the key properties of 2-[(1S,5R)-2,5-dimethylcyclopent-2-en-1-yl]-N-hydroxyacetamide?
2-[(1S,5R)-2,5-dimethylcyclopent-2-en-1-yl]-N-hydroxyacetamide has a molecular weight of 169.22 g/mol, XLogP of 1.48, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S,5R)-2,5-dimethylcyclopent-2-en-1-yl]-N-hydroxyacetamide is sourced from PubChem (CID 134966926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).