2-(trideuteriomethoxy)cyclohexene-1-carbonitrile

C8H11NO — CID 150305964

IUPAC2-(trideuteriomethoxy)cyclohexene-1-carbonitrile
SMILES[2H]C([2H])([2H])OC1=C(C#N)CCCC1
InChIInChI=1S/C8H11NO/c1-10-8-5-3-2-4-7(8)6-9/h2-5H2,1H3/i1D3
InChIKeyGKPDDEMMSBBIFH-FIBGUPNXSA-N
MW140.20 g/mol
LogP1.98
Rot. Bonds2

About 2-(trideuteriomethoxy)cyclohexene-1-carbonitrile

2-(trideuteriomethoxy)cyclohexene-1-carbonitrile (PubChem CID 150305964) has the molecular formula C8H11NO and a molecular weight of 140.20 g/mol. Its IUPAC name is 2-(trideuteriomethoxy)cyclohexene-1-carbonitrile.

Molecular Properties

Compound Name2-(trideuteriomethoxy)cyclohexene-1-carbonitrile
PubChem CID150305964
Molecular FormulaC8H11NO
Molecular Weight140.20 g/mol
Exact Mass140.10
IUPAC Name2-(trideuteriomethoxy)cyclohexene-1-carbonitrile
SMILES[2H]C([2H])([2H])OC1=C(C#N)CCCC1
InChIInChI=1S/C8H11NO/c1-10-8-5-3-2-4-7(8)6-9/h2-5H2,1H3/i1D3
InChIKeyGKPDDEMMSBBIFH-FIBGUPNXSA-N
XLogP1.98
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.20
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(trideuteriomethoxy)cyclohexene-1-carbonitrile?
The IUPAC name of 2-(trideuteriomethoxy)cyclohexene-1-carbonitrile (CID 150305964) is 2-(trideuteriomethoxy)cyclohexene-1-carbonitrile.
What is the SMILES notation for 2-(trideuteriomethoxy)cyclohexene-1-carbonitrile?
The canonical SMILES for 2-(trideuteriomethoxy)cyclohexene-1-carbonitrile is [2H]C([2H])([2H])OC1=C(C#N)CCCC1.
What is the InChIKey of 2-(trideuteriomethoxy)cyclohexene-1-carbonitrile?
The InChIKey is GKPDDEMMSBBIFH-FIBGUPNXSA-N. The full InChI is InChI=1S/C8H11NO/c1-10-8-5-3-2-4-7(8)6-9/h2-5H2,1H3/i1D3.
What are the key properties of 2-(trideuteriomethoxy)cyclohexene-1-carbonitrile?
2-(trideuteriomethoxy)cyclohexene-1-carbonitrile has a molecular weight of 140.20 g/mol, XLogP of 1.98, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trideuteriomethoxy)cyclohexene-1-carbonitrile is sourced from PubChem (CID 150305964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).