(2S)-2-deuteriopropanenitrile

C3H5N — CID 136728619

IUPAC(2S)-2-deuteriopropanenitrile
SMILES[2H][C@@H](C)C#N
InChIInChI=1S/C3H5N/c1-2-3-4/h2H2,1H3/i2D/t2-/m0/s1
InChIKeyFVSKHRXBFJPNKK-SKEHDUAGSA-N
MW56.09 g/mol
LogP0.92
Rot. Bonds

About (2S)-2-deuteriopropanenitrile

(2S)-2-deuteriopropanenitrile (PubChem CID 136728619) has the molecular formula C3H5N and a molecular weight of 56.09 g/mol. Its IUPAC name is (2S)-2-deuteriopropanenitrile.

Molecular Properties

Compound Name(2S)-2-deuteriopropanenitrile
PubChem CID136728619
Molecular FormulaC3H5N
Molecular Weight56.09 g/mol
Exact Mass56.05
IUPAC Name(2S)-2-deuteriopropanenitrile
SMILES[2H][C@@H](C)C#N
InChIInChI=1S/C3H5N/c1-2-3-4/h2H2,1H3/i2D/t2-/m0/s1
InChIKeyFVSKHRXBFJPNKK-SKEHDUAGSA-N
XLogP0.92
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms4
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50056.09
LogP ≤ 50.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-deuteriopropanenitrile?
The IUPAC name of (2S)-2-deuteriopropanenitrile (CID 136728619) is (2S)-2-deuteriopropanenitrile.
What is the SMILES notation for (2S)-2-deuteriopropanenitrile?
The canonical SMILES for (2S)-2-deuteriopropanenitrile is [2H][C@@H](C)C#N.
What is the InChIKey of (2S)-2-deuteriopropanenitrile?
The InChIKey is FVSKHRXBFJPNKK-SKEHDUAGSA-N. The full InChI is InChI=1S/C3H5N/c1-2-3-4/h2H2,1H3/i2D/t2-/m0/s1.
What are the key properties of (2S)-2-deuteriopropanenitrile?
(2S)-2-deuteriopropanenitrile has a molecular weight of 56.09 g/mol, XLogP of 0.92, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-deuteriopropanenitrile is sourced from PubChem (CID 136728619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).