2-[(1R)-cyclopent-2-en-1-yl]-N-[(2S)-2-hydroxy-4-methylpentyl]acetamide

C13H23NO2 — CID 97079501

IUPAC2-[(1R)-cyclopent-2-en-1-yl]-N-[(2S)-2-hydroxy-4-methylpentyl]acetamide
SMILESCC(C)C[C@H](O)CNC(=O)C[C@@H]1C=CCC1
InChIInChI=1S/C13H23NO2/c1-10(2)7-12(15)9-14-13(16)8-11-5-3-4-6-11/h3,5,10-12,15H,4,6-9H2,1-2H3,(H,14,16)/t11-,12+/m1/s1
InChIKeyLCBJBCFBXDKXGJ-NEPJUHHUSA-N
MW225.33 g/mol
LogP1.87
Rot. Bonds6

About 2-[(1R)-cyclopent-2-en-1-yl]-N-[(2S)-2-hydroxy-4-methylpentyl]acetamide

2-[(1R)-cyclopent-2-en-1-yl]-N-[(2S)-2-hydroxy-4-methylpentyl]acetamide (PubChem CID 97079501) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is 2-[(1R)-cyclopent-2-en-1-yl]-N-[(2S)-2-hydroxy-4-methylpentyl]acetamide.

Molecular Properties

Compound Name2-[(1R)-cyclopent-2-en-1-yl]-N-[(2S)-2-hydroxy-4-methylpentyl]acetamide
PubChem CID97079501
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Name2-[(1R)-cyclopent-2-en-1-yl]-N-[(2S)-2-hydroxy-4-methylpentyl]acetamide
SMILESCC(C)C[C@H](O)CNC(=O)C[C@@H]1C=CCC1
InChIInChI=1S/C13H23NO2/c1-10(2)7-12(15)9-14-13(16)8-11-5-3-4-6-11/h3,5,10-12,15H,4,6-9H2,1-2H3,(H,14,16)/t11-,12+/m1/s1
InChIKeyLCBJBCFBXDKXGJ-NEPJUHHUSA-N
XLogP1.87
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-amino-3-hydroxybutyl)-2-cyclopent-2-en-1-ylacetamide
CID 64539561
(2S)-2-[(2-cyclopent-2-en-1-ylacetyl)amino]-4-methylpentanoic acid
CID 61155871
2-cyclopentyl-N-(2-hydroxy-4-methylpentyl)acetamide
CID 103770830
(2R)-2-[(2-cyclopent-2-en-1-ylacetyl)amino]propanoic acid
CID 78972953
2-cyclopent-2-en-1-yl-N-(2-ethyl-2-hydroxybutyl)acetamide
CID 65113826
N-(3-aminopropyl)-2-cyclopent-2-en-1-ylacetamide
CID 62268451
2-cyclopent-2-en-1-yl-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]acetamide
CID 103604609
4-hydroxy-N-(2-hydroxy-4-methylpentyl)pentanamide
CID 107159465
2-[(1S)-cyclopent-2-en-1-yl]-N-[(2R,3S)-4-hydroxy-3-methylsulfanylbutan-2-yl]acetamide
CID 97235375
2-cyclopent-2-en-1-yl-N-(4-ethylsulfanylbutan-2-yl)acetamide
CID 71993245
N-[(2R)-2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-2-[(1R)-cyclopent-2-en-1-yl]acetamide
CID 9425337
2-[(1R)-cyclopent-2-en-1-yl]-N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]acetamide
CID 124757220

Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-cyclopent-2-en-1-yl]-N-[(2S)-2-hydroxy-4-methylpentyl]acetamide?
The IUPAC name of 2-[(1R)-cyclopent-2-en-1-yl]-N-[(2S)-2-hydroxy-4-methylpentyl]acetamide (CID 97079501) is 2-[(1R)-cyclopent-2-en-1-yl]-N-[(2S)-2-hydroxy-4-methylpentyl]acetamide.
What is the SMILES notation for 2-[(1R)-cyclopent-2-en-1-yl]-N-[(2S)-2-hydroxy-4-methylpentyl]acetamide?
The canonical SMILES for 2-[(1R)-cyclopent-2-en-1-yl]-N-[(2S)-2-hydroxy-4-methylpentyl]acetamide is CC(C)C[C@H](O)CNC(=O)C[C@@H]1C=CCC1.
What is the InChIKey of 2-[(1R)-cyclopent-2-en-1-yl]-N-[(2S)-2-hydroxy-4-methylpentyl]acetamide?
The InChIKey is LCBJBCFBXDKXGJ-NEPJUHHUSA-N. The full InChI is InChI=1S/C13H23NO2/c1-10(2)7-12(15)9-14-13(16)8-11-5-3-4-6-11/h3,5,10-12,15H,4,6-9H2,1-2H3,(H,14,16)/t11-,12+/m1/s1.
What are the key properties of 2-[(1R)-cyclopent-2-en-1-yl]-N-[(2S)-2-hydroxy-4-methylpentyl]acetamide?
2-[(1R)-cyclopent-2-en-1-yl]-N-[(2S)-2-hydroxy-4-methylpentyl]acetamide has a molecular weight of 225.33 g/mol, XLogP of 1.87, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-cyclopent-2-en-1-yl]-N-[(2S)-2-hydroxy-4-methylpentyl]acetamide is sourced from PubChem (CID 97079501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).