(7R)-spiro[1,5,6,8-tetrahydrocycloocta[b]pyrrole-7,2'-1-azabicyclo[1.1.0]butane]-4,9-dione

C12H12N2O2 — CID 163932150

IUPAC(7R)-spiro[1,5,6,8-tetrahydrocycloocta[b]pyrrole-7,2'-1-azabicyclo[1.1.0]butane]-4,9-dione
SMILESO=C1CC[C@@]2(CC(=O)c3[nH]ccc31)C1CN12
InChIInChI=1S/C12H12N2O2/c15-8-1-3-12(10-6-14(10)12)5-9(16)11-7(8)2-4-13-11/h2,4,10,13H,1,3,5-6H2/t10?,12-,14?/m1/s1
InChIKeyRJOWRHPGLBWXDF-KSGYAGIASA-N
MW216.24 g/mol
LogP1.00
Rot. Bonds

About (7R)-spiro[1,5,6,8-tetrahydrocycloocta[b]pyrrole-7,2'-1-azabicyclo[1.1.0]butane]-4,9-dione

(7R)-spiro[1,5,6,8-tetrahydrocycloocta[b]pyrrole-7,2'-1-azabicyclo[1.1.0]butane]-4,9-dione (PubChem CID 163932150) has the molecular formula C12H12N2O2 and a molecular weight of 216.24 g/mol. Its IUPAC name is (7R)-spiro[1,5,6,8-tetrahydrocycloocta[b]pyrrole-7,2'-1-azabicyclo[1.1.0]butane]-4,9-dione.

Molecular Properties

Compound Name(7R)-spiro[1,5,6,8-tetrahydrocycloocta[b]pyrrole-7,2'-1-azabicyclo[1.1.0]butane]-4,9-dione
PubChem CID163932150
Molecular FormulaC12H12N2O2
Molecular Weight216.24 g/mol
Exact Mass216.09
IUPAC Name(7R)-spiro[1,5,6,8-tetrahydrocycloocta[b]pyrrole-7,2'-1-azabicyclo[1.1.0]butane]-4,9-dione
SMILESO=C1CC[C@@]2(CC(=O)c3[nH]ccc31)C1CN12
InChIInChI=1S/C12H12N2O2/c15-8-1-3-12(10-6-14(10)12)5-9(16)11-7(8)2-4-13-11/h2,4,10,13H,1,3,5-6H2/t10?,12-,14?/m1/s1
InChIKeyRJOWRHPGLBWXDF-KSGYAGIASA-N
XLogP1.00
TPSA52.94 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

5,5-dimethyl-1,6-dihydroindole-4,7-dione
CID 70182304
spiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,1'-cyclopropane]-4-one
CID 175842879
7-benzyl-5,6-dihydro-1H-pyrrolo[2,3-c]azepine-4,8-dione
CID 10538869
6-methyl-1,5,6,7-tetrahydropyrrolo[2,3-c]azepine-4,8-dione
CID 68639083
1H-pyrrolo[3,4-b]pyrrole-4,6-dione
CID 18442732
5-chloro-1,5,6,7-tetrahydroindol-4-one
CID 13437716
4,5,6,7-tetrahydro-1H-pyrrolo[2,3-d]azepin-8-one
CID 82417488
7-methyl-8-oxo-1,6-dihydropyrrolo[2,3-c]azepine-4-carbaldehyde
CID 145081253
7-propyl-1,5,6,7-tetrahydropyrrolo[3,2-c]azepine-4,8-dione
CID 67943123
spiro[2,3-dihydronaphthalene-4,1'-cyclohexane]-1-one
CID 54322685
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

Frequently Asked Questions

What is the IUPAC name of (7R)-spiro[1,5,6,8-tetrahydrocycloocta[b]pyrrole-7,2'-1-azabicyclo[1.1.0]butane]-4,9-dione?
The IUPAC name of (7R)-spiro[1,5,6,8-tetrahydrocycloocta[b]pyrrole-7,2'-1-azabicyclo[1.1.0]butane]-4,9-dione (CID 163932150) is (7R)-spiro[1,5,6,8-tetrahydrocycloocta[b]pyrrole-7,2'-1-azabicyclo[1.1.0]butane]-4,9-dione.
What is the SMILES notation for (7R)-spiro[1,5,6,8-tetrahydrocycloocta[b]pyrrole-7,2'-1-azabicyclo[1.1.0]butane]-4,9-dione?
The canonical SMILES for (7R)-spiro[1,5,6,8-tetrahydrocycloocta[b]pyrrole-7,2'-1-azabicyclo[1.1.0]butane]-4,9-dione is O=C1CC[C@@]2(CC(=O)c3[nH]ccc31)C1CN12.
What is the InChIKey of (7R)-spiro[1,5,6,8-tetrahydrocycloocta[b]pyrrole-7,2'-1-azabicyclo[1.1.0]butane]-4,9-dione?
The InChIKey is RJOWRHPGLBWXDF-KSGYAGIASA-N. The full InChI is InChI=1S/C12H12N2O2/c15-8-1-3-12(10-6-14(10)12)5-9(16)11-7(8)2-4-13-11/h2,4,10,13H,1,3,5-6H2/t10?,12-,14?/m1/s1.
What are the key properties of (7R)-spiro[1,5,6,8-tetrahydrocycloocta[b]pyrrole-7,2'-1-azabicyclo[1.1.0]butane]-4,9-dione?
(7R)-spiro[1,5,6,8-tetrahydrocycloocta[b]pyrrole-7,2'-1-azabicyclo[1.1.0]butane]-4,9-dione has a molecular weight of 216.24 g/mol, XLogP of 1.00, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-spiro[1,5,6,8-tetrahydrocycloocta[b]pyrrole-7,2'-1-azabicyclo[1.1.0]butane]-4,9-dione is sourced from PubChem (CID 163932150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).