4'-methylspiro[3,5,6,7,8,8a-hexahydro-2H-indolizine-1,3'-pyrrolidine]

C12H22N2 — CID 130942537

IUPAC4'-methylspiro[3,5,6,7,8,8a-hexahydro-2H-indolizine-1,3'-pyrrolidine]
SMILESCC1CNCC12CCN1CCCCC12
InChIInChI=1S/C12H22N2/c1-10-8-13-9-12(10)5-7-14-6-3-2-4-11(12)14/h10-11,13H,2-9H2,1H3
InChIKeyQSQJPMDXQGPCKZ-UHFFFAOYSA-N
MW194.32 g/mol
LogP1.47
Rot. Bonds

About 4'-methylspiro[3,5,6,7,8,8a-hexahydro-2H-indolizine-1,3'-pyrrolidine]

4'-methylspiro[3,5,6,7,8,8a-hexahydro-2H-indolizine-1,3'-pyrrolidine] (PubChem CID 130942537) has the molecular formula C12H22N2 and a molecular weight of 194.32 g/mol. Its IUPAC name is 4'-methylspiro[3,5,6,7,8,8a-hexahydro-2H-indolizine-1,3'-pyrrolidine].

Molecular Properties

Compound Name4'-methylspiro[3,5,6,7,8,8a-hexahydro-2H-indolizine-1,3'-pyrrolidine]
PubChem CID130942537
Molecular FormulaC12H22N2
Molecular Weight194.32 g/mol
Exact Mass194.18
IUPAC Name4'-methylspiro[3,5,6,7,8,8a-hexahydro-2H-indolizine-1,3'-pyrrolidine]
SMILESCC1CNCC12CCN1CCCCC12
InChIInChI=1S/C12H22N2/c1-10-8-13-9-12(10)5-7-14-6-3-2-4-11(12)14/h10-11,13H,2-9H2,1H3
InChIKeyQSQJPMDXQGPCKZ-UHFFFAOYSA-N
XLogP1.47
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4'-methylspiro[3,5,6,7,8,8a-hexahydro-2H-indolizine-1,3'-pyrrolidine] with MolForge

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Related Compounds

3,3-difluoro-4-pyrrolidin-1-ylpyrrolidine
CID 115014675
3'-(2-chlorophenyl)spiro[1,2,3,5,6,8-hexahydropyrrolizine-7,4'-piperidine]
CID 82856484
2,6,10-trimethyl-2,8-diazaspiro[4.5]decane
CID 83959998
cis-(1R,2R)-1-methyl-2-pyrrolidin-1-ylcyclohexan-1-ol
CID 101409360
3'-(4-chlorophenyl)spiro[1,2,3,5,6,8-hexahydropyrrolizine-7,4'-piperidine]
CID 82855837
(27S)-5,21,26,26-tetramethyl-1-azabicyclo[25.8.0]pentatriacontane
CID 155003765
7-methyl-7-propyl-1,2,3,5,6,8-hexahydropyrrolizine
CID 154510933
4,9-dimethyl-2,7-diazaspiro[4.4]nonan-2-amine
CID 123899490
3'-(2-fluorophenyl)spiro[1,2,3,5,6,8-hexahydropyrrolizine-7,4'-piperidine]
CID 82855956
dimethyl 3,5,6,7,8,8a-hexahydro-2H-indolizine-1,1-dicarboxylate
CID 102082195
4'-methylspiro[bicyclo[2.2.1]heptane-2,3'-pyrrolidine]
CID 20705204
1-(difluoromethyl)-N-methyl-2,3,5,6,7,8-hexahydropyrrolizin-1-amine
CID 82855656

Frequently Asked Questions

What is the IUPAC name of 4'-methylspiro[3,5,6,7,8,8a-hexahydro-2H-indolizine-1,3'-pyrrolidine]?
The IUPAC name of 4'-methylspiro[3,5,6,7,8,8a-hexahydro-2H-indolizine-1,3'-pyrrolidine] (CID 130942537) is 4'-methylspiro[3,5,6,7,8,8a-hexahydro-2H-indolizine-1,3'-pyrrolidine].
What is the SMILES notation for 4'-methylspiro[3,5,6,7,8,8a-hexahydro-2H-indolizine-1,3'-pyrrolidine]?
The canonical SMILES for 4'-methylspiro[3,5,6,7,8,8a-hexahydro-2H-indolizine-1,3'-pyrrolidine] is CC1CNCC12CCN1CCCCC12.
What is the InChIKey of 4'-methylspiro[3,5,6,7,8,8a-hexahydro-2H-indolizine-1,3'-pyrrolidine]?
The InChIKey is QSQJPMDXQGPCKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2/c1-10-8-13-9-12(10)5-7-14-6-3-2-4-11(12)14/h10-11,13H,2-9H2,1H3.
What are the key properties of 4'-methylspiro[3,5,6,7,8,8a-hexahydro-2H-indolizine-1,3'-pyrrolidine]?
4'-methylspiro[3,5,6,7,8,8a-hexahydro-2H-indolizine-1,3'-pyrrolidine] has a molecular weight of 194.32 g/mol, XLogP of 1.47, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4'-methylspiro[3,5,6,7,8,8a-hexahydro-2H-indolizine-1,3'-pyrrolidine] is sourced from PubChem (CID 130942537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).