1-[2-[(1S,5S)-3,6-diazabicyclo[3.2.2]nonan-3-yl]-2-oxoethyl]pyrrolidin-2-one;hydrochloride

C13H22ClN3O2 — CID 154908225

IUPAC1-[2-[(1S,5S)-3,6-diazabicyclo[3.2.2]nonan-3-yl]-2-oxoethyl]pyrrolidin-2-one;hydrochloride
SMILESCl.O=C1CCCN1CC(=O)N1C[C@H]2CC[C@@H](C1)NC2
InChIInChI=1S/C13H21N3O2.ClH/c17-12-2-1-5-15(12)9-13(18)16-7-10-3-4-11(8-16)14-6-10;/h10-11,14H,1-9H2;1H/t10-,11-;/m0./s1
InChIKeyPPEZSLBVLDFGQB-ACMTZBLWSA-N
MW287.79 g/mol
LogP0.24
Rot. Bonds2

About 1-[2-[(1S,5S)-3,6-diazabicyclo[3.2.2]nonan-3-yl]-2-oxoethyl]pyrrolidin-2-one;hydrochloride

1-[2-[(1S,5S)-3,6-diazabicyclo[3.2.2]nonan-3-yl]-2-oxoethyl]pyrrolidin-2-one;hydrochloride (PubChem CID 154908225) has the molecular formula C13H22ClN3O2 and a molecular weight of 287.79 g/mol. Its IUPAC name is 1-[2-[(1S,5S)-3,6-diazabicyclo[3.2.2]nonan-3-yl]-2-oxoethyl]pyrrolidin-2-one;hydrochloride.

Molecular Properties

Compound Name1-[2-[(1S,5S)-3,6-diazabicyclo[3.2.2]nonan-3-yl]-2-oxoethyl]pyrrolidin-2-one;hydrochloride
PubChem CID154908225
Molecular FormulaC13H22ClN3O2
Molecular Weight287.79 g/mol
Exact Mass287.14
IUPAC Name1-[2-[(1S,5S)-3,6-diazabicyclo[3.2.2]nonan-3-yl]-2-oxoethyl]pyrrolidin-2-one;hydrochloride
SMILESCl.O=C1CCCN1CC(=O)N1C[C@H]2CC[C@@H](C1)NC2
InChIInChI=1S/C13H21N3O2.ClH/c17-12-2-1-5-15(12)9-13(18)16-7-10-3-4-11(8-16)14-6-10;/h10-11,14H,1-9H2;1H/t10-,11-;/m0./s1
InChIKeyPPEZSLBVLDFGQB-ACMTZBLWSA-N
XLogP0.24
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.79
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[(1S,5S)-3,6-diazabicyclo[3.2.2]nonan-3-yl]-2-oxoethyl]-3-methylimidazolidin-2-one;hydrochloride
CID 154910996
1-[2-(3,4-dihydroxypyrrolidin-1-yl)-2-oxoethyl]pyrrolidin-2-one
CID 106671974
3-cyclopentyl-1-[(1S,5S)-3,6-diazabicyclo[3.2.2]nonan-3-yl]propan-1-one
CID 122558011
1-[2-(2-oxopyrrolidin-1-yl)acetyl]piperidine-4-carboxamide
CID 110689906
1-[2-[(1R,2S,6R,9R)-6-benzyl-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]-2-oxoethyl]pyrrolidin-2-one
CID 166612999
1-[2-[3-(methylaminomethyl)pyrrolidin-1-yl]-2-oxoethyl]pyrrolidin-2-one
CID 63263320
1-[2-(4-amino-3-methylpiperidin-1-yl)-2-oxoethyl]pyrrolidin-2-one
CID 79868594
1-[2-oxo-2-[(3S)-3-(2-phenylethyl)piperidin-1-yl]ethyl]pyrrolidin-2-one
CID 42216671
1-[2-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-oxoethyl]pyrrolidin-2-one;hydrochloride
CID 119622567
methyl 1-[2-(2-oxopyrrolidin-1-yl)acetyl]pyrrolidine-3-carboxylate
CID 112733697
1-(2-oxo-2-piperazin-1-ylethyl)piperidin-2-one
CID 28824712
2-methyl-2-[1-[2-(2-oxopyrrolidin-1-yl)acetyl]piperidin-3-yl]propanoic acid
CID 83198658

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(1S,5S)-3,6-diazabicyclo[3.2.2]nonan-3-yl]-2-oxoethyl]pyrrolidin-2-one;hydrochloride?
The IUPAC name of 1-[2-[(1S,5S)-3,6-diazabicyclo[3.2.2]nonan-3-yl]-2-oxoethyl]pyrrolidin-2-one;hydrochloride (CID 154908225) is 1-[2-[(1S,5S)-3,6-diazabicyclo[3.2.2]nonan-3-yl]-2-oxoethyl]pyrrolidin-2-one;hydrochloride.
What is the SMILES notation for 1-[2-[(1S,5S)-3,6-diazabicyclo[3.2.2]nonan-3-yl]-2-oxoethyl]pyrrolidin-2-one;hydrochloride?
The canonical SMILES for 1-[2-[(1S,5S)-3,6-diazabicyclo[3.2.2]nonan-3-yl]-2-oxoethyl]pyrrolidin-2-one;hydrochloride is Cl.O=C1CCCN1CC(=O)N1C[C@H]2CC[C@@H](C1)NC2.
What is the InChIKey of 1-[2-[(1S,5S)-3,6-diazabicyclo[3.2.2]nonan-3-yl]-2-oxoethyl]pyrrolidin-2-one;hydrochloride?
The InChIKey is PPEZSLBVLDFGQB-ACMTZBLWSA-N. The full InChI is InChI=1S/C13H21N3O2.ClH/c17-12-2-1-5-15(12)9-13(18)16-7-10-3-4-11(8-16)14-6-10;/h10-11,14H,1-9H2;1H/t10-,11-;/m0./s1.
What are the key properties of 1-[2-[(1S,5S)-3,6-diazabicyclo[3.2.2]nonan-3-yl]-2-oxoethyl]pyrrolidin-2-one;hydrochloride?
1-[2-[(1S,5S)-3,6-diazabicyclo[3.2.2]nonan-3-yl]-2-oxoethyl]pyrrolidin-2-one;hydrochloride has a molecular weight of 287.79 g/mol, XLogP of 0.24, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(1S,5S)-3,6-diazabicyclo[3.2.2]nonan-3-yl]-2-oxoethyl]pyrrolidin-2-one;hydrochloride is sourced from PubChem (CID 154908225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).