N-ethyl-2-[(1S,2S,5S)-2-(hydroxymethyl)-5-trimethylsilylcyclopent-3-en-1-yl]acetamide

C13H25NO2Si — CID 171365750

IUPACN-ethyl-2-[(1S,2S,5S)-2-(hydroxymethyl)-5-trimethylsilylcyclopent-3-en-1-yl]acetamide
SMILESCCNC(=O)C[C@H]1[C@@H](CO)C=C[C@@H]1[Si](C)(C)C
InChIInChI=1S/C13H25NO2Si/c1-5-14-13(16)8-11-10(9-15)6-7-12(11)17(2,3)4/h6-7,10-12,15H,5,8-9H2,1-4H3,(H,14,16)/t10-,11+,12+/m1/s1
InChIKeyHRWXUHOBYYEYSQ-WOPDTQHZSA-N
MW255.43 g/mol
LogP2.02
Rot. Bonds5

About N-ethyl-2-[(1S,2S,5S)-2-(hydroxymethyl)-5-trimethylsilylcyclopent-3-en-1-yl]acetamide

N-ethyl-2-[(1S,2S,5S)-2-(hydroxymethyl)-5-trimethylsilylcyclopent-3-en-1-yl]acetamide (PubChem CID 171365750) has the molecular formula C13H25NO2Si and a molecular weight of 255.43 g/mol. Its IUPAC name is N-ethyl-2-[(1S,2S,5S)-2-(hydroxymethyl)-5-trimethylsilylcyclopent-3-en-1-yl]acetamide.

Molecular Properties

Compound NameN-ethyl-2-[(1S,2S,5S)-2-(hydroxymethyl)-5-trimethylsilylcyclopent-3-en-1-yl]acetamide
PubChem CID171365750
Molecular FormulaC13H25NO2Si
Molecular Weight255.43 g/mol
Exact Mass255.17
IUPAC NameN-ethyl-2-[(1S,2S,5S)-2-(hydroxymethyl)-5-trimethylsilylcyclopent-3-en-1-yl]acetamide
SMILESCCNC(=O)C[C@H]1[C@@H](CO)C=C[C@@H]1[Si](C)(C)C
InChIInChI=1S/C13H25NO2Si/c1-5-14-13(16)8-11-10(9-15)6-7-12(11)17(2,3)4/h6-7,10-12,15H,5,8-9H2,1-4H3,(H,14,16)/t10-,11+,12+/m1/s1
InChIKeyHRWXUHOBYYEYSQ-WOPDTQHZSA-N
XLogP2.02
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.43
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[(1s,4r,5r)-5-{[(t-butyldimethylsilyl)oxy]methyl}-4-hydroxycyclopent-2-en-1-yl]-N-ethylacetamide
CID 171365798
2-[(1s,2s,5s)-2-{[(t-butyldimethylsilyl)oxy]methyl}-5-(trimethylsilyl)cyclopent-3-en-1-yl]-N-ethylacetamide
CID 171365833
N-(cyclohex-3-en-1-ylmethyl)-5-hydroxypentanamide
CID 79208936
N-(5-hydroxy-4-methylpentyl)cyclopent-3-ene-1-carboxamide
CID 103861669
2-cyclopent-2-en-1-yl-N-(5-hydroxy-4-methylpentyl)acetamide
CID 103861862
N-(5-hydroxy-4-methylpentyl)cyclohex-3-ene-1-carboxamide
CID 103862352
N-(5-hydroxy-2,2-dimethylpentyl)cyclopent-3-ene-1-carboxamide
CID 103900007
N-(5-hydroxypentyl)cyclopent-3-ene-1-carboxamide
CID 107318573
2-cyclopent-2-en-1-yl-N-(5-hydroxypentyl)acetamide
CID 107318761
N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-2,3-dimethylpentanamide
CID 110021356
N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3,4-dimethylpentanamide
CID 111661614
2-cyclopent-2-en-1-yl-N-(5-hydroxy-4,4-dimethylpentyl)acetamide
CID 112285112

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[(1S,2S,5S)-2-(hydroxymethyl)-5-trimethylsilylcyclopent-3-en-1-yl]acetamide?
The IUPAC name of N-ethyl-2-[(1S,2S,5S)-2-(hydroxymethyl)-5-trimethylsilylcyclopent-3-en-1-yl]acetamide (CID 171365750) is N-ethyl-2-[(1S,2S,5S)-2-(hydroxymethyl)-5-trimethylsilylcyclopent-3-en-1-yl]acetamide.
What is the SMILES notation for N-ethyl-2-[(1S,2S,5S)-2-(hydroxymethyl)-5-trimethylsilylcyclopent-3-en-1-yl]acetamide?
The canonical SMILES for N-ethyl-2-[(1S,2S,5S)-2-(hydroxymethyl)-5-trimethylsilylcyclopent-3-en-1-yl]acetamide is CCNC(=O)C[C@H]1[C@@H](CO)C=C[C@@H]1[Si](C)(C)C.
What is the InChIKey of N-ethyl-2-[(1S,2S,5S)-2-(hydroxymethyl)-5-trimethylsilylcyclopent-3-en-1-yl]acetamide?
The InChIKey is HRWXUHOBYYEYSQ-WOPDTQHZSA-N. The full InChI is InChI=1S/C13H25NO2Si/c1-5-14-13(16)8-11-10(9-15)6-7-12(11)17(2,3)4/h6-7,10-12,15H,5,8-9H2,1-4H3,(H,14,16)/t10-,11+,12+/m1/s1.
What are the key properties of N-ethyl-2-[(1S,2S,5S)-2-(hydroxymethyl)-5-trimethylsilylcyclopent-3-en-1-yl]acetamide?
N-ethyl-2-[(1S,2S,5S)-2-(hydroxymethyl)-5-trimethylsilylcyclopent-3-en-1-yl]acetamide has a molecular weight of 255.43 g/mol, XLogP of 2.02, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[(1S,2S,5S)-2-(hydroxymethyl)-5-trimethylsilylcyclopent-3-en-1-yl]acetamide is sourced from PubChem (CID 171365750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).