(9aS)-spiro[2,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-3,1'-cyclopropane]-1,4-dione

C10H14N2O2 — CID 155816681

IUPAC(9aS)-spiro[2,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-3,1'-cyclopropane]-1,4-dione
SMILESO=C1NC2(CC2)C(=O)N2CCCC[C@@H]12
InChIInChI=1S/C10H14N2O2/c13-8-7-3-1-2-6-12(7)9(14)10(11-8)4-5-10/h7H,1-6H2,(H,11,13)/t7-/m0/s1
InChIKeyRBMNNURCMQCSSJ-ZETCQYMHSA-N
MW194.23 g/mol
LogP0.03
Rot. Bonds

About (9aS)-spiro[2,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-3,1'-cyclopropane]-1,4-dione

(9aS)-spiro[2,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-3,1'-cyclopropane]-1,4-dione (PubChem CID 155816681) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is (9aS)-spiro[2,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-3,1'-cyclopropane]-1,4-dione.

Molecular Properties

Compound Name(9aS)-spiro[2,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-3,1'-cyclopropane]-1,4-dione
PubChem CID155816681
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Name(9aS)-spiro[2,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-3,1'-cyclopropane]-1,4-dione
SMILESO=C1NC2(CC2)C(=O)N2CCCC[C@@H]12
InChIInChI=1S/C10H14N2O2/c13-8-7-3-1-2-6-12(7)9(14)10(11-8)4-5-10/h7H,1-6H2,(H,11,13)/t7-/m0/s1
InChIKeyRBMNNURCMQCSSJ-ZETCQYMHSA-N
XLogP0.03
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 50.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (9aS)-spiro[2,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-3,1'-cyclopropane]-1,4-dione with MolForge

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

Launch Full Analysis

Related Compounds

(8aS)-3,3-dimethyl-4-sulfanylidene-6,7,8,8a-tetrahydro-2H-pyrrolo[1,2-a]pyrazin-1-one
CID 101368903
(3R,10S)-1,8-diazatricyclo[8.4.0.03,8]tetradecane-2,9-dione
CID 97436024
(8aS)-spiro[2,3,7,8a-tetrahydro-1H-indolizine-6,1'-cyclohexane]-5,8-dione
CID 58560734
7-cyclopropyl-4,7-diazaspiro[2.5]octane-5,8-dione
CID 121207254
3-hydroxy-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione
CID 146681249
4-cyclopentyl-1,4-diazaspiro[5.5]undecane-2,5-dione
CID 64958417
10-cyclobutyl-6,10-diazaspiro[4.6]undecane-7,11-dione
CID 64969522
spiro[1,4,7,10,13,16,19,22,26,29,32-undecazabicyclo[32.3.0]heptatriacontane-31,1'-cyclopentane]-2,5,8,11,14,17,20,23,27,30,33-undecone
CID 164851488
(7aS)-spiro[5,6,7,7a-tetrahydro-2H-pyrrolo[1,2-c]imidazole-3,1'-cyclopentane]-1-one
CID 166448251
3-methyl-5,6a,7,8,9,10-hexahydropyrido[2,1-c][1,4]benzodiazepine-6,12-dione
CID 165342590
2-methylidene-1,4,7,10-tetrazabicyclo[10.4.0]hexadecane-5,8,11-trione
CID 142041830
11-(2,2-dimethylcyclopentyl)-7,11-diazaspiro[5.6]dodecane-8,12-dione
CID 79872046

Frequently Asked Questions

What is the IUPAC name of (9aS)-spiro[2,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-3,1'-cyclopropane]-1,4-dione?
The IUPAC name of (9aS)-spiro[2,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-3,1'-cyclopropane]-1,4-dione (CID 155816681) is (9aS)-spiro[2,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-3,1'-cyclopropane]-1,4-dione.
What is the SMILES notation for (9aS)-spiro[2,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-3,1'-cyclopropane]-1,4-dione?
The canonical SMILES for (9aS)-spiro[2,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-3,1'-cyclopropane]-1,4-dione is O=C1NC2(CC2)C(=O)N2CCCC[C@@H]12.
What is the InChIKey of (9aS)-spiro[2,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-3,1'-cyclopropane]-1,4-dione?
The InChIKey is RBMNNURCMQCSSJ-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H14N2O2/c13-8-7-3-1-2-6-12(7)9(14)10(11-8)4-5-10/h7H,1-6H2,(H,11,13)/t7-/m0/s1.
What are the key properties of (9aS)-spiro[2,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-3,1'-cyclopropane]-1,4-dione?
(9aS)-spiro[2,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-3,1'-cyclopropane]-1,4-dione has a molecular weight of 194.23 g/mol, XLogP of 0.03, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (9aS)-spiro[2,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-3,1'-cyclopropane]-1,4-dione is sourced from PubChem (CID 155816681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).