2,2,2-trichloro-N-[[(1S)-cyclopent-2-en-1-yl]methyl]acetamide

C8H10Cl3NO — CID 101149800

IUPAC2,2,2-trichloro-N-[[(1S)-cyclopent-2-en-1-yl]methyl]acetamide
SMILESO=C(NC[C@@H]1C=CCC1)C(Cl)(Cl)Cl
InChIInChI=1S/C8H10Cl3NO/c9-8(10,11)7(13)12-5-6-3-1-2-4-6/h1,3,6H,2,4-5H2,(H,12,13)/t6-/m1/s1
InChIKeyUQCDRSJAKQDBJU-ZCFIWIBFSA-N
MW242.53 g/mol
LogP2.44
Rot. Bonds2

About 2,2,2-trichloro-N-[[(1S)-cyclopent-2-en-1-yl]methyl]acetamide

2,2,2-trichloro-N-[[(1S)-cyclopent-2-en-1-yl]methyl]acetamide (PubChem CID 101149800) has the molecular formula C8H10Cl3NO and a molecular weight of 242.53 g/mol. Its IUPAC name is 2,2,2-trichloro-N-[[(1S)-cyclopent-2-en-1-yl]methyl]acetamide.

Molecular Properties

Compound Name2,2,2-trichloro-N-[[(1S)-cyclopent-2-en-1-yl]methyl]acetamide
PubChem CID101149800
Molecular FormulaC8H10Cl3NO
Molecular Weight242.53 g/mol
Exact Mass240.98
IUPAC Name2,2,2-trichloro-N-[[(1S)-cyclopent-2-en-1-yl]methyl]acetamide
SMILESO=C(NC[C@@H]1C=CCC1)C(Cl)(Cl)Cl
InChIInChI=1S/C8H10Cl3NO/c9-8(10,11)7(13)12-5-6-3-1-2-4-6/h1,3,6H,2,4-5H2,(H,12,13)/t6-/m1/s1
InChIKeyUQCDRSJAKQDBJU-ZCFIWIBFSA-N
XLogP2.44
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.53
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-(cyclopent-2-en-1-ylmethyl)-4-(trifluoromethyl)pyrimidine-5-carboxamide
CID 162579521
2,2,2-trichloro-N-[(1R)-cyclohept-2-en-1-yl]acetamide
CID 158442389
2-[(1R)-cyclopent-2-en-1-yl]acetamide
CID 51382690
methyl 3-[(1S)-cyclopent-2-en-1-yl]propanoate
CID 125474628
2-cyclopent-2-en-1-yl-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]acetamide
CID 103604609
2-cyclopent-2-en-1-yl-N-(2-ethyl-2-hydroxybutyl)acetamide
CID 65113826
1-[(1S)-cyclopent-2-en-1-yl]butane-2,3-dione
CID 163985438
butanedioic acid;cyclopent-2-en-1-ylmethanol
CID 157480041
N-(3-aminopropyl)-2-cyclopent-2-en-1-ylacetamide
CID 62268451
2-cyclopent-2-en-1-yl-N-(2-hydroxy-2-propylpentyl)acetamide
CID 111444858
2-[(1R)-cyclopent-2-en-1-yl]-N-[[(2R)-thiolan-2-yl]methyl]acetamide
CID 97068704
11-[(1R)-cyclopent-2-en-1-yl]undecanoyl chloride
CID 58163629

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trichloro-N-[[(1S)-cyclopent-2-en-1-yl]methyl]acetamide?
The IUPAC name of 2,2,2-trichloro-N-[[(1S)-cyclopent-2-en-1-yl]methyl]acetamide (CID 101149800) is 2,2,2-trichloro-N-[[(1S)-cyclopent-2-en-1-yl]methyl]acetamide.
What is the SMILES notation for 2,2,2-trichloro-N-[[(1S)-cyclopent-2-en-1-yl]methyl]acetamide?
The canonical SMILES for 2,2,2-trichloro-N-[[(1S)-cyclopent-2-en-1-yl]methyl]acetamide is O=C(NC[C@@H]1C=CCC1)C(Cl)(Cl)Cl.
What is the InChIKey of 2,2,2-trichloro-N-[[(1S)-cyclopent-2-en-1-yl]methyl]acetamide?
The InChIKey is UQCDRSJAKQDBJU-ZCFIWIBFSA-N. The full InChI is InChI=1S/C8H10Cl3NO/c9-8(10,11)7(13)12-5-6-3-1-2-4-6/h1,3,6H,2,4-5H2,(H,12,13)/t6-/m1/s1.
What are the key properties of 2,2,2-trichloro-N-[[(1S)-cyclopent-2-en-1-yl]methyl]acetamide?
2,2,2-trichloro-N-[[(1S)-cyclopent-2-en-1-yl]methyl]acetamide has a molecular weight of 242.53 g/mol, XLogP of 2.44, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trichloro-N-[[(1S)-cyclopent-2-en-1-yl]methyl]acetamide is sourced from PubChem (CID 101149800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).