(1S,5R)-3-[(3R)-2,6-dioxopiperidin-3-yl]-3-azabicyclo[3.2.0]heptane-2,4-dione

C11H12N2O4 — CID 139075948

IUPAC(1S,5R)-3-[(3R)-2,6-dioxopiperidin-3-yl]-3-azabicyclo[3.2.0]heptane-2,4-dione
SMILESO=C1CC[C@@H](N2C(=O)[C@H]3CC[C@H]3C2=O)C(=O)N1
InChIInChI=1S/C11H12N2O4/c14-8-4-3-7(9(15)12-8)13-10(16)5-1-2-6(5)11(13)17/h5-7H,1-4H2,(H,12,14,15)/t5-,6+,7-/m1/s1
InChIKeyNQCFWAHHQBBCBR-DSYKOEDSSA-N
MW236.23 g/mol
LogP-0.81
Rot. Bonds1

About (1S,5R)-3-[(3R)-2,6-dioxopiperidin-3-yl]-3-azabicyclo[3.2.0]heptane-2,4-dione

(1S,5R)-3-[(3R)-2,6-dioxopiperidin-3-yl]-3-azabicyclo[3.2.0]heptane-2,4-dione (PubChem CID 139075948) has the molecular formula C11H12N2O4 and a molecular weight of 236.23 g/mol. Its IUPAC name is (1S,5R)-3-[(3R)-2,6-dioxopiperidin-3-yl]-3-azabicyclo[3.2.0]heptane-2,4-dione.

Molecular Properties

Compound Name(1S,5R)-3-[(3R)-2,6-dioxopiperidin-3-yl]-3-azabicyclo[3.2.0]heptane-2,4-dione
PubChem CID139075948
Molecular FormulaC11H12N2O4
Molecular Weight236.23 g/mol
Exact Mass236.08
IUPAC Name(1S,5R)-3-[(3R)-2,6-dioxopiperidin-3-yl]-3-azabicyclo[3.2.0]heptane-2,4-dione
SMILESO=C1CC[C@@H](N2C(=O)[C@H]3CC[C@H]3C2=O)C(=O)N1
InChIInChI=1S/C11H12N2O4/c14-8-4-3-7(9(15)12-8)13-10(16)5-1-2-6(5)11(13)17/h5-7H,1-4H2,(H,12,14,15)/t5-,6+,7-/m1/s1
InChIKeyNQCFWAHHQBBCBR-DSYKOEDSSA-N
XLogP-0.81
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.23
LogP ≤ 5-0.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2,7-dioxoazepan-3-yl)-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 140733089
(3R)-3-(2,5-dioxopyrrolidin-1-yl)piperidine-2,6-dione
CID 121493318
(1R,2R,6S,7S)-4-[(3R)-2,6-dioxopiperidin-3-yl]-4-azatricyclo[5.2.1.02,6]decane-3,5-dione
CID 76958691
(3R)-3-[(3R)-3-methyl-2,5-dioxopyrrolidin-1-yl]piperidine-2,6-dione
CID 124564806
N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-5-yl]-3,4-difluorocyclohexane-1-sulfonamide
CID 164938677
2-(2,6-dioxo(115N)azinan-3-yl)isoindole-1,3-dione
CID 46898665
2-(2,6-dioxo(513C)azinan-3-yl)isoindole-1,3-dione
CID 46898587
2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 161120100
(2S,6S)-4-[(3R)-2,5-dioxopyrrolidin-3-yl]-4-azatricyclo[5.2.2.02,6]undecane-3,5-dione
CID 92527515
2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;ethane
CID 91469620
7-(2,6-dioxopiperidin-3-yl)-3a,4,10,10a-tetrahydroisoindolo[5,6-f]isoindole-1,3,6,8-tetrone
CID 172549870
4-(2,6-dioxopiperidin-3-yl)-1a,6a-dihydrooxireno[2,3-f]isoindole-3,5-dione
CID 88553247

Frequently Asked Questions

What is the IUPAC name of (1S,5R)-3-[(3R)-2,6-dioxopiperidin-3-yl]-3-azabicyclo[3.2.0]heptane-2,4-dione?
The IUPAC name of (1S,5R)-3-[(3R)-2,6-dioxopiperidin-3-yl]-3-azabicyclo[3.2.0]heptane-2,4-dione (CID 139075948) is (1S,5R)-3-[(3R)-2,6-dioxopiperidin-3-yl]-3-azabicyclo[3.2.0]heptane-2,4-dione.
What is the SMILES notation for (1S,5R)-3-[(3R)-2,6-dioxopiperidin-3-yl]-3-azabicyclo[3.2.0]heptane-2,4-dione?
The canonical SMILES for (1S,5R)-3-[(3R)-2,6-dioxopiperidin-3-yl]-3-azabicyclo[3.2.0]heptane-2,4-dione is O=C1CC[C@@H](N2C(=O)[C@H]3CC[C@H]3C2=O)C(=O)N1.
What is the InChIKey of (1S,5R)-3-[(3R)-2,6-dioxopiperidin-3-yl]-3-azabicyclo[3.2.0]heptane-2,4-dione?
The InChIKey is NQCFWAHHQBBCBR-DSYKOEDSSA-N. The full InChI is InChI=1S/C11H12N2O4/c14-8-4-3-7(9(15)12-8)13-10(16)5-1-2-6(5)11(13)17/h5-7H,1-4H2,(H,12,14,15)/t5-,6+,7-/m1/s1.
What are the key properties of (1S,5R)-3-[(3R)-2,6-dioxopiperidin-3-yl]-3-azabicyclo[3.2.0]heptane-2,4-dione?
(1S,5R)-3-[(3R)-2,6-dioxopiperidin-3-yl]-3-azabicyclo[3.2.0]heptane-2,4-dione has a molecular weight of 236.23 g/mol, XLogP of -0.81, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5R)-3-[(3R)-2,6-dioxopiperidin-3-yl]-3-azabicyclo[3.2.0]heptane-2,4-dione is sourced from PubChem (CID 139075948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).