pyrrolidine-1-carbonitrile;hydrochloride

C5H9ClN2 — CID 18454671

IUPACpyrrolidine-1-carbonitrile;hydrochloride
SMILESCl.N#CN1CCCC1
InChIInChI=1S/C5H8N2.ClH/c6-5-7-3-1-2-4-7;/h1-4H2;1H
InChIKeyZVFZNMYLDRDSJE-UHFFFAOYSA-N
MW132.59 g/mol
LogP0.99
Rot. Bonds

About pyrrolidine-1-carbonitrile;hydrochloride

pyrrolidine-1-carbonitrile;hydrochloride (PubChem CID 18454671) has the molecular formula C5H9ClN2 and a molecular weight of 132.59 g/mol. Its IUPAC name is pyrrolidine-1-carbonitrile;hydrochloride.

Molecular Properties

Compound Namepyrrolidine-1-carbonitrile;hydrochloride
PubChem CID18454671
Molecular FormulaC5H9ClN2
Molecular Weight132.59 g/mol
Exact Mass132.05
IUPAC Namepyrrolidine-1-carbonitrile;hydrochloride
SMILESCl.N#CN1CCCC1
InChIInChI=1S/C5H8N2.ClH/c6-5-7-3-1-2-4-7;/h1-4H2;1H
InChIKeyZVFZNMYLDRDSJE-UHFFFAOYSA-N
XLogP0.99
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.59
LogP ≤ 50.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}

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Related Compounds

1-methylpiperidin-1-ium-1-carbonitrile;piperidine-1-carbonitrile
CID 88653756
(4S)-4-methylazepane-1-carbonitrile
CID 164921443
4-hydroxyazepane-1-carbonitrile
CID 131020835
1,1-dioxo-1,4-thiazinane-4-carbonitrile
CID 12708314
(4-phenylphenyl)methanol;pyrrolidine-1-carbonitrile
CID 144964287
ethane;3-methylpiperidine-1-carbonitrile
CID 144937261
dichloroplatinum;bis(morpholine-4-carbonitrile)
CID 59428779
(3S)-3-propan-2-ylpiperidine-1-carbonitrile
CID 118445246
(1-cyanopiperidin-3-yl)-trimethylazanium
CID 123480322
4-methoxypyridin-2-amine;pyrrolidine-1-carbonitrile
CID 142471498
2-azaspiro[4.4]nonane-2-carbonitrile
CID 130516424
4-ethylpiperidine-1-carbonitrile
CID 89030426

Frequently Asked Questions

What is the IUPAC name of pyrrolidine-1-carbonitrile;hydrochloride?
The IUPAC name of pyrrolidine-1-carbonitrile;hydrochloride (CID 18454671) is pyrrolidine-1-carbonitrile;hydrochloride.
What is the SMILES notation for pyrrolidine-1-carbonitrile;hydrochloride?
The canonical SMILES for pyrrolidine-1-carbonitrile;hydrochloride is Cl.N#CN1CCCC1.
What is the InChIKey of pyrrolidine-1-carbonitrile;hydrochloride?
The InChIKey is ZVFZNMYLDRDSJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2.ClH/c6-5-7-3-1-2-4-7;/h1-4H2;1H.
What are the key properties of pyrrolidine-1-carbonitrile;hydrochloride?
pyrrolidine-1-carbonitrile;hydrochloride has a molecular weight of 132.59 g/mol, XLogP of 0.99, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for pyrrolidine-1-carbonitrile;hydrochloride is sourced from PubChem (CID 18454671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).