1-[1-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-1-oxobutan-2-yl]pyrrolidin-2-one;hydrochloride

C15H26ClN3O2 — CID 119636602

IUPAC1-[1-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-1-oxobutan-2-yl]pyrrolidin-2-one;hydrochloride
SMILESCCC(C(=O)N1CCC2CCC(C1)N2)N1CCCC1=O.Cl
InChIInChI=1S/C15H25N3O2.ClH/c1-2-13(18-8-3-4-14(18)19)15(20)17-9-7-11-5-6-12(10-17)16-11;/h11-13,16H,2-10H2,1H3;1H
InChIKeyRCPUASMLNCNKFR-UHFFFAOYSA-N
MW315.85 g/mol
LogP1.16
Rot. Bonds3

About 1-[1-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-1-oxobutan-2-yl]pyrrolidin-2-one;hydrochloride

1-[1-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-1-oxobutan-2-yl]pyrrolidin-2-one;hydrochloride (PubChem CID 119636602) has the molecular formula C15H26ClN3O2 and a molecular weight of 315.85 g/mol. Its IUPAC name is 1-[1-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-1-oxobutan-2-yl]pyrrolidin-2-one;hydrochloride.

Molecular Properties

Compound Name1-[1-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-1-oxobutan-2-yl]pyrrolidin-2-one;hydrochloride
PubChem CID119636602
Molecular FormulaC15H26ClN3O2
Molecular Weight315.85 g/mol
Exact Mass315.17
IUPAC Name1-[1-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-1-oxobutan-2-yl]pyrrolidin-2-one;hydrochloride
SMILESCCC(C(=O)N1CCC2CCC(C1)N2)N1CCCC1=O.Cl
InChIInChI=1S/C15H25N3O2.ClH/c1-2-13(18-8-3-4-14(18)19)15(20)17-9-7-11-5-6-12(10-17)16-11;/h11-13,16H,2-10H2,1H3;1H
InChIKeyRCPUASMLNCNKFR-UHFFFAOYSA-N
XLogP1.16
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.85
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[1-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-1-oxobutan-2-yl]pyrrolidin-2-one;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-1-oxobutan-2-yl]pyrrolidin-2-one;hydrochloride?
The IUPAC name of 1-[1-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-1-oxobutan-2-yl]pyrrolidin-2-one;hydrochloride (CID 119636602) is 1-[1-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-1-oxobutan-2-yl]pyrrolidin-2-one;hydrochloride.
What is the SMILES notation for 1-[1-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-1-oxobutan-2-yl]pyrrolidin-2-one;hydrochloride?
The canonical SMILES for 1-[1-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-1-oxobutan-2-yl]pyrrolidin-2-one;hydrochloride is CCC(C(=O)N1CCC2CCC(C1)N2)N1CCCC1=O.Cl.
What is the InChIKey of 1-[1-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-1-oxobutan-2-yl]pyrrolidin-2-one;hydrochloride?
The InChIKey is RCPUASMLNCNKFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2.ClH/c1-2-13(18-8-3-4-14(18)19)15(20)17-9-7-11-5-6-12(10-17)16-11;/h11-13,16H,2-10H2,1H3;1H.
What are the key properties of 1-[1-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-1-oxobutan-2-yl]pyrrolidin-2-one;hydrochloride?
1-[1-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-1-oxobutan-2-yl]pyrrolidin-2-one;hydrochloride has a molecular weight of 315.85 g/mol, XLogP of 1.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-1-oxobutan-2-yl]pyrrolidin-2-one;hydrochloride is sourced from PubChem (CID 119636602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).