(2S)-morpholine-2-carbonitrile;hydrochloride

C5H9ClN2O — CID 121225951

IUPAC(2S)-morpholine-2-carbonitrile;hydrochloride
SMILESCl.N#C[C@@H]1CNCCO1
InChIInChI=1S/C5H8N2O.ClH/c6-3-5-4-7-1-2-8-5;/h5,7H,1-2,4H2;1H/t5-;/m1./s1
InChIKeyZMOKRKDCILYHIO-NUBCRITNSA-N
MW148.59 g/mol
LogP-0.08
Rot. Bonds

About (2S)-morpholine-2-carbonitrile;hydrochloride

(2S)-morpholine-2-carbonitrile;hydrochloride (PubChem CID 121225951) has the molecular formula C5H9ClN2O and a molecular weight of 148.59 g/mol. Its IUPAC name is (2S)-morpholine-2-carbonitrile;hydrochloride.

Molecular Properties

Compound Name(2S)-morpholine-2-carbonitrile;hydrochloride
PubChem CID121225951
Molecular FormulaC5H9ClN2O
Molecular Weight148.59 g/mol
Exact Mass148.04
IUPAC Name(2S)-morpholine-2-carbonitrile;hydrochloride
SMILESCl.N#C[C@@H]1CNCCO1
InChIInChI=1S/C5H8N2O.ClH/c6-3-5-4-7-1-2-8-5;/h5,7H,1-2,4H2;1H/t5-;/m1./s1
InChIKeyZMOKRKDCILYHIO-NUBCRITNSA-N
XLogP-0.08
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.59
LogP ≤ 5-0.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (2S)-morpholine-2-carbonitrile;hydrochloride?
The IUPAC name of (2S)-morpholine-2-carbonitrile;hydrochloride (CID 121225951) is (2S)-morpholine-2-carbonitrile;hydrochloride.
What is the SMILES notation for (2S)-morpholine-2-carbonitrile;hydrochloride?
The canonical SMILES for (2S)-morpholine-2-carbonitrile;hydrochloride is Cl.N#C[C@@H]1CNCCO1.
What is the InChIKey of (2S)-morpholine-2-carbonitrile;hydrochloride?
The InChIKey is ZMOKRKDCILYHIO-NUBCRITNSA-N. The full InChI is InChI=1S/C5H8N2O.ClH/c6-3-5-4-7-1-2-8-5;/h5,7H,1-2,4H2;1H/t5-;/m1./s1.
What are the key properties of (2S)-morpholine-2-carbonitrile;hydrochloride?
(2S)-morpholine-2-carbonitrile;hydrochloride has a molecular weight of 148.59 g/mol, XLogP of -0.08, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-morpholine-2-carbonitrile;hydrochloride is sourced from PubChem (CID 121225951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).