2,2,3-trideuteriopropanenitrile

C3H5N — CID 139606733

IUPAC2,2,3-trideuteriopropanenitrile
SMILES[2H]CC([2H])([2H])C#N
InChIInChI=1S/C3H5N/c1-2-3-4/h2H2,1H3/i1D,2D2
InChIKeyFVSKHRXBFJPNKK-APAIHEESSA-N
MW58.10 g/mol
LogP0.92
Rot. Bonds1

About 2,2,3-trideuteriopropanenitrile

2,2,3-trideuteriopropanenitrile (PubChem CID 139606733) has the molecular formula C3H5N and a molecular weight of 58.10 g/mol. Its IUPAC name is 2,2,3-trideuteriopropanenitrile.

Molecular Properties

Compound Name2,2,3-trideuteriopropanenitrile
PubChem CID139606733
Molecular FormulaC3H5N
Molecular Weight58.10 g/mol
Exact Mass58.06
IUPAC Name2,2,3-trideuteriopropanenitrile
SMILES[2H]CC([2H])([2H])C#N
InChIInChI=1S/C3H5N/c1-2-3-4/h2H2,1H3/i1D,2D2
InChIKeyFVSKHRXBFJPNKK-APAIHEESSA-N
XLogP0.92
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms4
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50058.10
LogP ≤ 50.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(2S)-2-deuteriopropanenitrile
CID 136728619
propanenitrile bromide
CID 19792087
cyanophosphanium
CID 23594344
CID 102411509
CID 102411509
2-deuterio-2-deuteriooxyacetonitrile
CID 90699159
cyanomethyl(dimethyl)sulfanium bromide
CID 86012705
butane;propanenitrile
CID 174979809
formonitrile;propanenitrile
CID 174670578
N-(2-cyanoethyl)-N-(trideuteriomethyl)nitramide
CID 167995511
NCN radical
CID 5384683
amino-(cyanomethyl)-dimethylazanium bromide
CID 139256595
1-deuteriobutane;1-deuteriopropane
CID 158543987

Frequently Asked Questions

What is the IUPAC name of 2,2,3-trideuteriopropanenitrile?
The IUPAC name of 2,2,3-trideuteriopropanenitrile (CID 139606733) is 2,2,3-trideuteriopropanenitrile.
What is the SMILES notation for 2,2,3-trideuteriopropanenitrile?
The canonical SMILES for 2,2,3-trideuteriopropanenitrile is [2H]CC([2H])([2H])C#N.
What is the InChIKey of 2,2,3-trideuteriopropanenitrile?
The InChIKey is FVSKHRXBFJPNKK-APAIHEESSA-N. The full InChI is InChI=1S/C3H5N/c1-2-3-4/h2H2,1H3/i1D,2D2.
What are the key properties of 2,2,3-trideuteriopropanenitrile?
2,2,3-trideuteriopropanenitrile has a molecular weight of 58.10 g/mol, XLogP of 0.92, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3-trideuteriopropanenitrile is sourced from PubChem (CID 139606733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).