3-[2-(2-oxopyrrolidin-1-yl)ethylamino]propanenitrile;hydrochloride

C9H16ClN3O — CID 2847564

IUPAC3-[2-(2-oxopyrrolidin-1-yl)ethylamino]propanenitrile;hydrochloride
SMILESCl.N#CCCNCCN1CCCC1=O
InChIInChI=1S/C9H15N3O.ClH/c10-4-2-5-11-6-8-12-7-1-3-9(12)13;/h11H,1-3,5-8H2;1H
InChIKeyQZNMHMTYMCTOGY-UHFFFAOYSA-N
MW217.70 g/mol
LogP0.53
Rot. Bonds5

About 3-[2-(2-oxopyrrolidin-1-yl)ethylamino]propanenitrile;hydrochloride

3-[2-(2-oxopyrrolidin-1-yl)ethylamino]propanenitrile;hydrochloride (PubChem CID 2847564) has the molecular formula C9H16ClN3O and a molecular weight of 217.70 g/mol. Its IUPAC name is 3-[2-(2-oxopyrrolidin-1-yl)ethylamino]propanenitrile;hydrochloride.

Molecular Properties

Compound Name3-[2-(2-oxopyrrolidin-1-yl)ethylamino]propanenitrile;hydrochloride
PubChem CID2847564
Molecular FormulaC9H16ClN3O
Molecular Weight217.70 g/mol
Exact Mass217.10
IUPAC Name3-[2-(2-oxopyrrolidin-1-yl)ethylamino]propanenitrile;hydrochloride
SMILESCl.N#CCCNCCN1CCCC1=O
InChIInChI=1S/C9H15N3O.ClH/c10-4-2-5-11-6-8-12-7-1-3-9(12)13;/h11H,1-3,5-8H2;1H
InChIKeyQZNMHMTYMCTOGY-UHFFFAOYSA-N
XLogP0.53
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.70
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(2-Aminoethyl)pyrrolidin-2-one
CID 90660
Acetamide, N-(2-(2-oxo-1-pyrrolidinyl)ethyl)-
CID 49385
2-Pyrrolidinone, 1-(2-aminoethyl)-, monohydrochloride
CID 3022039
2-Pyrrolidinone, 1-(4-aminobutyl)-
CID 3041220
N-[2-(dimethylamino)ethyl]-2-(2-oxopyrrolidin-1-yl)acetamide;hydrochloride
CID 21327798
Propanamide, 3-((2-(2-oxo-1-pyrrolidinyl)ethyl)amino)-, monohydrochloride
CID 3022035
3-{[2-(2-Oxopyrrolidin-1-yl)ethyl]amino}propanenitrile
CID 2847565
4-Amino-1-(pyrrolidin-1-yl)butan-1-one
CID 22692128
4-Amino-1-(pyrrolidin-1-yl)butan-1-one dihydrochloride
CID 137919884
N-(2-cyanoethyl)-2-pyrrolidin-1-ylacetamide
CID 47013505
3-[2-(2-Oxopyrrolidin-1-yl)ethylamino]propanamide
CID 3022036
N-[2-(1-pyrrolidinyl)ethyl]propanamide
CID 12709130

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-oxopyrrolidin-1-yl)ethylamino]propanenitrile;hydrochloride?
The IUPAC name of 3-[2-(2-oxopyrrolidin-1-yl)ethylamino]propanenitrile;hydrochloride (CID 2847564) is 3-[2-(2-oxopyrrolidin-1-yl)ethylamino]propanenitrile;hydrochloride.
What is the SMILES notation for 3-[2-(2-oxopyrrolidin-1-yl)ethylamino]propanenitrile;hydrochloride?
The canonical SMILES for 3-[2-(2-oxopyrrolidin-1-yl)ethylamino]propanenitrile;hydrochloride is Cl.N#CCCNCCN1CCCC1=O.
What is the InChIKey of 3-[2-(2-oxopyrrolidin-1-yl)ethylamino]propanenitrile;hydrochloride?
The InChIKey is QZNMHMTYMCTOGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O.ClH/c10-4-2-5-11-6-8-12-7-1-3-9(12)13;/h11H,1-3,5-8H2;1H.
What are the key properties of 3-[2-(2-oxopyrrolidin-1-yl)ethylamino]propanenitrile;hydrochloride?
3-[2-(2-oxopyrrolidin-1-yl)ethylamino]propanenitrile;hydrochloride has a molecular weight of 217.70 g/mol, XLogP of 0.53, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-oxopyrrolidin-1-yl)ethylamino]propanenitrile;hydrochloride is sourced from PubChem (CID 2847564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).