2,2,2-trichloro-N-[(1R)-cyclohept-2-en-1-yl]acetamide

C9H12Cl3NO — CID 158442389

IUPAC2,2,2-trichloro-N-[(1R)-cyclohept-2-en-1-yl]acetamide
SMILESO=C(N[C@H]1C=CCCCC1)C(Cl)(Cl)Cl
InChIInChI=1S/C9H12Cl3NO/c10-9(11,12)8(14)13-7-5-3-1-2-4-6-7/h3,5,7H,1-2,4,6H2,(H,13,14)/t7-/m0/s1
InChIKeySQTUITRGXIONNT-ZETCQYMHSA-N
MW256.56 g/mol
LogP2.97
Rot. Bonds1

About 2,2,2-trichloro-N-[(1R)-cyclohept-2-en-1-yl]acetamide

2,2,2-trichloro-N-[(1R)-cyclohept-2-en-1-yl]acetamide (PubChem CID 158442389) has the molecular formula C9H12Cl3NO and a molecular weight of 256.56 g/mol. Its IUPAC name is 2,2,2-trichloro-N-[(1R)-cyclohept-2-en-1-yl]acetamide.

Molecular Properties

Compound Name2,2,2-trichloro-N-[(1R)-cyclohept-2-en-1-yl]acetamide
PubChem CID158442389
Molecular FormulaC9H12Cl3NO
Molecular Weight256.56 g/mol
Exact Mass255.00
IUPAC Name2,2,2-trichloro-N-[(1R)-cyclohept-2-en-1-yl]acetamide
SMILESO=C(N[C@H]1C=CCCCC1)C(Cl)(Cl)Cl
InChIInChI=1S/C9H12Cl3NO/c10-9(11,12)8(14)13-7-5-3-1-2-4-6-7/h3,5,7H,1-2,4,6H2,(H,13,14)/t7-/m0/s1
InChIKeySQTUITRGXIONNT-ZETCQYMHSA-N
XLogP2.97
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.56
LogP ≤ 52.97
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

1-cyclohept-2-en-1-yl-3-methylurea
CID 101061254
N-[(2Z)-cyclooct-2-en-1-yl]benzamide
CID 101020756
2,2,2-trichloro-N-[(1R,4S)-4-hydroxycyclopent-2-en-1-yl]acetamide
CID 101055879
N-cyclohex-2-en-1-yl-4-(trifluoromethyl)benzamide
CID 86228367
2,2-dichloroethyl N-cyclohex-2-en-1-ylcarbamate
CID 86086396
(2R)-2-amino-N-cyclohex-2-en-1-ylpropanamide;hydrochloride
CID 130677946
2,2,2-trichloro-N-[[(1S)-cyclopent-2-en-1-yl]methyl]acetamide
CID 101149800
1-[(1R)-cyclohex-2-en-1-yl]-3-(2-methoxy-2-methylpropyl)urea
CID 97076034
benzyl N-[(1S)-cyclohex-2-en-1-yl]carbamate
CID 129365778
methyl N-[[(2Z)-cyclooct-2-en-1-yl]carbamoyl]-N'-(methylcarbamoyl)carbamimidothioate
CID 88816684
S-methyl N-[(2E)-4-(2,2-dimethylpropanoylamino)cyclooct-2-en-1-yl]carbamothioate
CID 122495928
(2Z)-N-(2,3,4,5,6-pentafluorophenyl)cyclooct-2-en-1-amine
CID 101429390

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trichloro-N-[(1R)-cyclohept-2-en-1-yl]acetamide?
The IUPAC name of 2,2,2-trichloro-N-[(1R)-cyclohept-2-en-1-yl]acetamide (CID 158442389) is 2,2,2-trichloro-N-[(1R)-cyclohept-2-en-1-yl]acetamide.
What is the SMILES notation for 2,2,2-trichloro-N-[(1R)-cyclohept-2-en-1-yl]acetamide?
The canonical SMILES for 2,2,2-trichloro-N-[(1R)-cyclohept-2-en-1-yl]acetamide is O=C(N[C@H]1C=CCCCC1)C(Cl)(Cl)Cl.
What is the InChIKey of 2,2,2-trichloro-N-[(1R)-cyclohept-2-en-1-yl]acetamide?
The InChIKey is SQTUITRGXIONNT-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H12Cl3NO/c10-9(11,12)8(14)13-7-5-3-1-2-4-6-7/h3,5,7H,1-2,4,6H2,(H,13,14)/t7-/m0/s1.
What are the key properties of 2,2,2-trichloro-N-[(1R)-cyclohept-2-en-1-yl]acetamide?
2,2,2-trichloro-N-[(1R)-cyclohept-2-en-1-yl]acetamide has a molecular weight of 256.56 g/mol, XLogP of 2.97, 1 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-[(1R)-cyclohept-2-en-1-yl]acetamide is sourced from PubChem (CID 158442389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).