5-pyrrolidin-2-yl-1H-pyridin-2-one;dihydrochloride

C9H14Cl2N2O — CID 155820314

IUPAC5-pyrrolidin-2-yl-1H-pyridin-2-one;dihydrochloride
SMILESCl.Cl.O=c1ccc(C2CCCN2)c[nH]1
InChIInChI=1S/C9H12N2O.2ClH/c12-9-4-3-7(6-11-9)8-2-1-5-10-8;;/h3-4,6,8,10H,1-2,5H2,(H,11,12);2*1H
InChIKeyBRJACEXMRKLCIY-UHFFFAOYSA-N
MW237.13 g/mol
LogP1.64
Rot. Bonds1

About 5-pyrrolidin-2-yl-1H-pyridin-2-one;dihydrochloride

5-pyrrolidin-2-yl-1H-pyridin-2-one;dihydrochloride (PubChem CID 155820314) has the molecular formula C9H14Cl2N2O and a molecular weight of 237.13 g/mol. Its IUPAC name is 5-pyrrolidin-2-yl-1H-pyridin-2-one;dihydrochloride.

Molecular Properties

Compound Name5-pyrrolidin-2-yl-1H-pyridin-2-one;dihydrochloride
PubChem CID155820314
Molecular FormulaC9H14Cl2N2O
Molecular Weight237.13 g/mol
Exact Mass236.05
IUPAC Name5-pyrrolidin-2-yl-1H-pyridin-2-one;dihydrochloride
SMILESCl.Cl.O=c1ccc(C2CCCN2)c[nH]1
InChIInChI=1S/C9H12N2O.2ClH/c12-9-4-3-7(6-11-9)8-2-1-5-10-8;;/h3-4,6,8,10H,1-2,5H2,(H,11,12);2*1H
InChIKeyBRJACEXMRKLCIY-UHFFFAOYSA-N
XLogP1.64
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.13
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-pyrrolidin-2-yl-1H-pyridin-2-one;dihydrochloride?
The IUPAC name of 5-pyrrolidin-2-yl-1H-pyridin-2-one;dihydrochloride (CID 155820314) is 5-pyrrolidin-2-yl-1H-pyridin-2-one;dihydrochloride.
What is the SMILES notation for 5-pyrrolidin-2-yl-1H-pyridin-2-one;dihydrochloride?
The canonical SMILES for 5-pyrrolidin-2-yl-1H-pyridin-2-one;dihydrochloride is Cl.Cl.O=c1ccc(C2CCCN2)c[nH]1.
What is the InChIKey of 5-pyrrolidin-2-yl-1H-pyridin-2-one;dihydrochloride?
The InChIKey is BRJACEXMRKLCIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O.2ClH/c12-9-4-3-7(6-11-9)8-2-1-5-10-8;;/h3-4,6,8,10H,1-2,5H2,(H,11,12);2*1H.
What are the key properties of 5-pyrrolidin-2-yl-1H-pyridin-2-one;dihydrochloride?
5-pyrrolidin-2-yl-1H-pyridin-2-one;dihydrochloride has a molecular weight of 237.13 g/mol, XLogP of 1.64, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pyrrolidin-2-yl-1H-pyridin-2-one;dihydrochloride is sourced from PubChem (CID 155820314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).