spiro[2,4,4a,5,6,7,8,8a-octahydro-1H-quinoxaline-3,1'-cyclopentane]

C12H22N2 — CID 66800407

IUPACspiro[2,4,4a,5,6,7,8,8a-octahydro-1H-quinoxaline-3,1'-cyclopentane]
SMILESC1CCC2NC3(CCCC3)CNC2C1
InChIInChI=1S/C12H22N2/c1-2-6-11-10(5-1)13-9-12(14-11)7-3-4-8-12/h10-11,13-14H,1-9H2
InChIKeyCUAQALDMAHLMSK-UHFFFAOYSA-N
MW194.32 g/mol
LogP1.80
Rot. Bonds

About spiro[2,4,4a,5,6,7,8,8a-octahydro-1H-quinoxaline-3,1'-cyclopentane]

spiro[2,4,4a,5,6,7,8,8a-octahydro-1H-quinoxaline-3,1'-cyclopentane] (PubChem CID 66800407) has the molecular formula C12H22N2 and a molecular weight of 194.32 g/mol. Its IUPAC name is spiro[2,4,4a,5,6,7,8,8a-octahydro-1H-quinoxaline-3,1'-cyclopentane].

Molecular Properties

Compound Namespiro[2,4,4a,5,6,7,8,8a-octahydro-1H-quinoxaline-3,1'-cyclopentane]
PubChem CID66800407
Molecular FormulaC12H22N2
Molecular Weight194.32 g/mol
Exact Mass194.18
IUPAC Namespiro[2,4,4a,5,6,7,8,8a-octahydro-1H-quinoxaline-3,1'-cyclopentane]
SMILESC1CCC2NC3(CCCC3)CNC2C1
InChIInChI=1S/C12H22N2/c1-2-6-11-10(5-1)13-9-12(14-11)7-3-4-8-12/h10-11,13-14H,1-9H2
InChIKeyCUAQALDMAHLMSK-UHFFFAOYSA-N
XLogP1.80
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze spiro[2,4,4a,5,6,7,8,8a-octahydro-1H-quinoxaline-3,1'-cyclopentane] with MolForge

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Launch Full Analysis

Related Compounds

(4aS,7aS)-3,3-dimethyl-1,2,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyrazine
CID 66800001
3,3-diethyl-2,4,4a,5,6,7,8,8a-octahydro-1H-quinoxaline
CID 66800483
(4aR,8aR)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoxaline
CID 15650611
(4aR,6aS,10aS,12aR)-5a,11a-dimethyl-1,2,3,4,4a,5,6,6a,7,8,9,10,10a,11,12,12a-hexadecahydroquinoxalino[2,3-b]quinoxaline
CID 15423024
2-pyrrolidin-2-ylpiperidine
CID 14810994
(3R)-1-azaspiro[2.6]nonan-5-amine
CID 121388589
2-methyl-1-azaspiro[4.5]decane
CID 59976686
7,7-dimethylspiro[2,4,4a,5,6,7a-hexahydrocyclopenta[b][1,4]oxazine-3,1'-cyclopentane]
CID 115824704
2,2-dimethyl-3,4,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine
CID 65101979
4-azaspiro[2.6]nonane-5-carboxylic acid
CID 84653478
(4aS,8aR)-3,3-difluoro-2,4,4a,5,6,7,8,8a-octahydro-1H-quinoline;hydrochloride
CID 155822383
(4aR,8aS)-3,3-dimethyl-2,4,4a,5,6,7,8,8a-octahydro-1H-quinoline;sulfane
CID 159381950

Frequently Asked Questions

What is the IUPAC name of spiro[2,4,4a,5,6,7,8,8a-octahydro-1H-quinoxaline-3,1'-cyclopentane]?
The IUPAC name of spiro[2,4,4a,5,6,7,8,8a-octahydro-1H-quinoxaline-3,1'-cyclopentane] (CID 66800407) is spiro[2,4,4a,5,6,7,8,8a-octahydro-1H-quinoxaline-3,1'-cyclopentane].
What is the SMILES notation for spiro[2,4,4a,5,6,7,8,8a-octahydro-1H-quinoxaline-3,1'-cyclopentane]?
The canonical SMILES for spiro[2,4,4a,5,6,7,8,8a-octahydro-1H-quinoxaline-3,1'-cyclopentane] is C1CCC2NC3(CCCC3)CNC2C1.
What is the InChIKey of spiro[2,4,4a,5,6,7,8,8a-octahydro-1H-quinoxaline-3,1'-cyclopentane]?
The InChIKey is CUAQALDMAHLMSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2/c1-2-6-11-10(5-1)13-9-12(14-11)7-3-4-8-12/h10-11,13-14H,1-9H2.
What are the key properties of spiro[2,4,4a,5,6,7,8,8a-octahydro-1H-quinoxaline-3,1'-cyclopentane]?
spiro[2,4,4a,5,6,7,8,8a-octahydro-1H-quinoxaline-3,1'-cyclopentane] has a molecular weight of 194.32 g/mol, XLogP of 1.80, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[2,4,4a,5,6,7,8,8a-octahydro-1H-quinoxaline-3,1'-cyclopentane] is sourced from PubChem (CID 66800407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).