(8aS)-1',1'-dimethylspiro[2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-4,4'-cyclohexane]-1-one

C14H24N2O — CID 96594376

IUPAC(8aS)-1',1'-dimethylspiro[2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-4,4'-cyclohexane]-1-one
SMILESCC1(C)CCC2(CC1)CNC(=O)[C@@H]1CCCN12
InChIInChI=1S/C14H24N2O/c1-13(2)5-7-14(8-6-13)10-15-12(17)11-4-3-9-16(11)14/h11H,3-10H2,1-2H3,(H,15,17)/t11-/m0/s1
InChIKeyWJOGBBFQJMKEGQ-NSHDSACASA-N
MW236.36 g/mol
LogP1.92
Rot. Bonds

About (8aS)-1',1'-dimethylspiro[2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-4,4'-cyclohexane]-1-one

(8aS)-1',1'-dimethylspiro[2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-4,4'-cyclohexane]-1-one (PubChem CID 96594376) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is (8aS)-1',1'-dimethylspiro[2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-4,4'-cyclohexane]-1-one.

Molecular Properties

Compound Name(8aS)-1',1'-dimethylspiro[2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-4,4'-cyclohexane]-1-one
PubChem CID96594376
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name(8aS)-1',1'-dimethylspiro[2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-4,4'-cyclohexane]-1-one
SMILESCC1(C)CCC2(CC1)CNC(=O)[C@@H]1CCCN12
InChIInChI=1S/C14H24N2O/c1-13(2)5-7-14(8-6-13)10-15-12(17)11-4-3-9-16(11)14/h11H,3-10H2,1-2H3,(H,15,17)/t11-/m0/s1
InChIKeyWJOGBBFQJMKEGQ-NSHDSACASA-N
XLogP1.92
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (8aS)-1',1'-dimethylspiro[2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-4,4'-cyclohexane]-1-one with MolForge

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Related Compounds

(7aS)-spiro[5,6,7,7a-tetrahydro-2H-pyrrolo[1,2-c]imidazole-3,1'-cyclopentane]-1-one
CID 166448251
2'-heptylspiro[5,6,7,7a-tetrahydro-2H-pyrrolo[1,2-c]imidazole-3,1'-cyclopentane]-1-one
CID 166061927
3,4,7,8,9,9a-hexahydro-2H-pyrido[1,2-a]pyrazine-1,6-dione
CID 123141221
(3S,8aR)-3-methyl-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione
CID 5325711
2,8-dimethyl-1,4,8-triazaspiro[5.5]undecan-3-one
CID 82398724
(8aS)-3,3-dimethyl-4-sulfanylidene-6,7,8,8a-tetrahydro-2H-pyrrolo[1,2-a]pyrazin-1-one
CID 101368903
6,6-dimethyl-3-(methylamino)azepan-2-one
CID 22985182
(3R,7aS)-3-methyl-2,3,5,6,7,7a-hexahydropyrrolo[1,2-c]imidazol-1-one
CID 14333308
3,5,5-trimethylpiperidine-2,4-dione
CID 83815448
(8S,20S)-1,4,10,14,18-pentazatricyclo[18.3.0.04,8]tricosane-9,19-dione
CID 11450995
(10bR)-7,7,9,9-tetramethyl-2,3,6,10b-tetrahydro-1H-pyrrolo[1,2-c]quinazoline-5,8,10-trione
CID 162888969
3-(azocan-1-yl)piperidin-2-one
CID 90761480

Frequently Asked Questions

What is the IUPAC name of (8aS)-1',1'-dimethylspiro[2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-4,4'-cyclohexane]-1-one?
The IUPAC name of (8aS)-1',1'-dimethylspiro[2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-4,4'-cyclohexane]-1-one (CID 96594376) is (8aS)-1',1'-dimethylspiro[2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-4,4'-cyclohexane]-1-one.
What is the SMILES notation for (8aS)-1',1'-dimethylspiro[2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-4,4'-cyclohexane]-1-one?
The canonical SMILES for (8aS)-1',1'-dimethylspiro[2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-4,4'-cyclohexane]-1-one is CC1(C)CCC2(CC1)CNC(=O)[C@@H]1CCCN12.
What is the InChIKey of (8aS)-1',1'-dimethylspiro[2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-4,4'-cyclohexane]-1-one?
The InChIKey is WJOGBBFQJMKEGQ-NSHDSACASA-N. The full InChI is InChI=1S/C14H24N2O/c1-13(2)5-7-14(8-6-13)10-15-12(17)11-4-3-9-16(11)14/h11H,3-10H2,1-2H3,(H,15,17)/t11-/m0/s1.
What are the key properties of (8aS)-1',1'-dimethylspiro[2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-4,4'-cyclohexane]-1-one?
(8aS)-1',1'-dimethylspiro[2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-4,4'-cyclohexane]-1-one has a molecular weight of 236.36 g/mol, XLogP of 1.92, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (8aS)-1',1'-dimethylspiro[2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-4,4'-cyclohexane]-1-one is sourced from PubChem (CID 96594376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).