N-(trideuteriomethyl)cyclohex-3-ene-1-carboxamide

C8H13NO — CID 156676783

IUPACN-(trideuteriomethyl)cyclohex-3-ene-1-carboxamide
SMILES[2H]C([2H])([2H])NC(=O)C1CC=CCC1
InChIInChI=1S/C8H13NO/c1-9-8(10)7-5-3-2-4-6-7/h2-3,7H,4-6H2,1H3,(H,9,10)/i1D3
InChIKeyDXXQJVHTEFQHMF-FIBGUPNXSA-N
MW142.22 g/mol
LogP1.09
Rot. Bonds2

About N-(trideuteriomethyl)cyclohex-3-ene-1-carboxamide

N-(trideuteriomethyl)cyclohex-3-ene-1-carboxamide (PubChem CID 156676783) has the molecular formula C8H13NO and a molecular weight of 142.22 g/mol. Its IUPAC name is N-(trideuteriomethyl)cyclohex-3-ene-1-carboxamide.

Molecular Properties

Compound NameN-(trideuteriomethyl)cyclohex-3-ene-1-carboxamide
PubChem CID156676783
Molecular FormulaC8H13NO
Molecular Weight142.22 g/mol
Exact Mass142.12
IUPAC NameN-(trideuteriomethyl)cyclohex-3-ene-1-carboxamide
SMILES[2H]C([2H])([2H])NC(=O)C1CC=CCC1
InChIInChI=1S/C8H13NO/c1-9-8(10)7-5-3-2-4-6-7/h2-3,7H,4-6H2,1H3,(H,9,10)/i1D3
InChIKeyDXXQJVHTEFQHMF-FIBGUPNXSA-N
XLogP1.09
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.22
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(1R)-N'-(cyclopentanecarbonyl)cyclohex-3-ene-1-carbohydrazide
CID 51983299
(1S)-N'-(cyclopentanecarbonyl)cyclohex-3-ene-1-carbohydrazide
CID 51983300
1-[(1R)-cyclohex-3-en-1-yl]ethanone
CID 15562643
N-[4-(cyclohex-3-ene-1-carbonylamino)phenyl]cyclohex-3-ene-1-carboxamide
CID 171577227
(1R)-N-[3-[[(1S)-cyclohex-3-ene-1-carbonyl]amino]-2,2-dimethylpropyl]cyclohex-3-ene-1-carboxamide
CID 95621362
2-(cyclohex-3-ene-1-carbonylamino)propanoic acid
CID 24705199
N-but-3-yn-2-ylcyclohex-3-ene-1-carboxamide
CID 114389785
N-[4-(cyclohex-3-ene-1-carbonylamino)-2,5-dimethylphenyl]cyclohex-3-ene-1-carboxamide
CID 42907468
N-(4-acetamidophenyl)cyclohex-3-ene-1-carboxamide
CID 17394995
(1S)-N-[(1S,2R)-2-methylcyclohexyl]cyclohex-3-ene-1-carboxamide
CID 100842555
methyl 2-[[(1S)-cyclohex-3-ene-1-carbonyl]amino]-2-methylpropanoate
CID 51873205
(1R)-N-[2-(2-methylpropanoylamino)ethyl]cyclohex-3-ene-1-carboxamide
CID 25474228

Frequently Asked Questions

What is the IUPAC name of N-(trideuteriomethyl)cyclohex-3-ene-1-carboxamide?
The IUPAC name of N-(trideuteriomethyl)cyclohex-3-ene-1-carboxamide (CID 156676783) is N-(trideuteriomethyl)cyclohex-3-ene-1-carboxamide.
What is the SMILES notation for N-(trideuteriomethyl)cyclohex-3-ene-1-carboxamide?
The canonical SMILES for N-(trideuteriomethyl)cyclohex-3-ene-1-carboxamide is [2H]C([2H])([2H])NC(=O)C1CC=CCC1.
What is the InChIKey of N-(trideuteriomethyl)cyclohex-3-ene-1-carboxamide?
The InChIKey is DXXQJVHTEFQHMF-FIBGUPNXSA-N. The full InChI is InChI=1S/C8H13NO/c1-9-8(10)7-5-3-2-4-6-7/h2-3,7H,4-6H2,1H3,(H,9,10)/i1D3.
What are the key properties of N-(trideuteriomethyl)cyclohex-3-ene-1-carboxamide?
N-(trideuteriomethyl)cyclohex-3-ene-1-carboxamide has a molecular weight of 142.22 g/mol, XLogP of 1.09, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(trideuteriomethyl)cyclohex-3-ene-1-carboxamide is sourced from PubChem (CID 156676783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).