(2R)-azetidine-2-carbonitrile;hydrochloride

C4H7ClN2 — CID 118798148

IUPAC(2R)-azetidine-2-carbonitrile;hydrochloride
SMILESCl.N#C[C@H]1CCN1
InChIInChI=1S/C4H6N2.ClH/c5-3-4-1-2-6-4;/h4,6H,1-2H2;1H/t4-;/m1./s1
InChIKeyIWOCNUXQBJPJPA-PGMHMLKASA-N
MW118.57 g/mol
LogP0.29
Rot. Bonds

About (2R)-azetidine-2-carbonitrile;hydrochloride

(2R)-azetidine-2-carbonitrile;hydrochloride (PubChem CID 118798148) has the molecular formula C4H7ClN2 and a molecular weight of 118.57 g/mol. Its IUPAC name is (2R)-azetidine-2-carbonitrile;hydrochloride.

Molecular Properties

Compound Name(2R)-azetidine-2-carbonitrile;hydrochloride
PubChem CID118798148
Molecular FormulaC4H7ClN2
Molecular Weight118.57 g/mol
Exact Mass118.03
IUPAC Name(2R)-azetidine-2-carbonitrile;hydrochloride
SMILESCl.N#C[C@H]1CCN1
InChIInChI=1S/C4H6N2.ClH/c5-3-4-1-2-6-4;/h4,6H,1-2H2;1H/t4-;/m1./s1
InChIKeyIWOCNUXQBJPJPA-PGMHMLKASA-N
XLogP0.29
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.57
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-azetidine-2-carbonitrile;hydrochloride?
The IUPAC name of (2R)-azetidine-2-carbonitrile;hydrochloride (CID 118798148) is (2R)-azetidine-2-carbonitrile;hydrochloride.
What is the SMILES notation for (2R)-azetidine-2-carbonitrile;hydrochloride?
The canonical SMILES for (2R)-azetidine-2-carbonitrile;hydrochloride is Cl.N#C[C@H]1CCN1.
What is the InChIKey of (2R)-azetidine-2-carbonitrile;hydrochloride?
The InChIKey is IWOCNUXQBJPJPA-PGMHMLKASA-N. The full InChI is InChI=1S/C4H6N2.ClH/c5-3-4-1-2-6-4;/h4,6H,1-2H2;1H/t4-;/m1./s1.
What are the key properties of (2R)-azetidine-2-carbonitrile;hydrochloride?
(2R)-azetidine-2-carbonitrile;hydrochloride has a molecular weight of 118.57 g/mol, XLogP of 0.29, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-azetidine-2-carbonitrile;hydrochloride is sourced from PubChem (CID 118798148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).