4-pyrrolidin-3-ylpyrrolidin-2-one;hydrochloride

C8H15ClN2O — CID 138040370

IUPAC4-pyrrolidin-3-ylpyrrolidin-2-one;hydrochloride
SMILESCl.O=C1CC(C2CCNC2)CN1
InChIInChI=1S/C8H14N2O.ClH/c11-8-3-7(5-10-8)6-1-2-9-4-6;/h6-7,9H,1-5H2,(H,10,11);1H
InChIKeyNPGPAISMCRTYOA-UHFFFAOYSA-N
MW190.67 g/mol
LogP0.15
Rot. Bonds1

About 4-pyrrolidin-3-ylpyrrolidin-2-one;hydrochloride

4-pyrrolidin-3-ylpyrrolidin-2-one;hydrochloride (PubChem CID 138040370) has the molecular formula C8H15ClN2O and a molecular weight of 190.67 g/mol. Its IUPAC name is 4-pyrrolidin-3-ylpyrrolidin-2-one;hydrochloride.

Molecular Properties

Compound Name4-pyrrolidin-3-ylpyrrolidin-2-one;hydrochloride
PubChem CID138040370
Molecular FormulaC8H15ClN2O
Molecular Weight190.67 g/mol
Exact Mass190.09
IUPAC Name4-pyrrolidin-3-ylpyrrolidin-2-one;hydrochloride
SMILESCl.O=C1CC(C2CCNC2)CN1
InChIInChI=1S/C8H14N2O.ClH/c11-8-3-7(5-10-8)6-1-2-9-4-6;/h6-7,9H,1-5H2,(H,10,11);1H
InChIKeyNPGPAISMCRTYOA-UHFFFAOYSA-N
XLogP0.15
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.67
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-pyrrolidin-3-ylpyrrolidin-2-one;hydrochloride?
The IUPAC name of 4-pyrrolidin-3-ylpyrrolidin-2-one;hydrochloride (CID 138040370) is 4-pyrrolidin-3-ylpyrrolidin-2-one;hydrochloride.
What is the SMILES notation for 4-pyrrolidin-3-ylpyrrolidin-2-one;hydrochloride?
The canonical SMILES for 4-pyrrolidin-3-ylpyrrolidin-2-one;hydrochloride is Cl.O=C1CC(C2CCNC2)CN1.
What is the InChIKey of 4-pyrrolidin-3-ylpyrrolidin-2-one;hydrochloride?
The InChIKey is NPGPAISMCRTYOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O.ClH/c11-8-3-7(5-10-8)6-1-2-9-4-6;/h6-7,9H,1-5H2,(H,10,11);1H.
What are the key properties of 4-pyrrolidin-3-ylpyrrolidin-2-one;hydrochloride?
4-pyrrolidin-3-ylpyrrolidin-2-one;hydrochloride has a molecular weight of 190.67 g/mol, XLogP of 0.15, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyrrolidin-3-ylpyrrolidin-2-one;hydrochloride is sourced from PubChem (CID 138040370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).