4-methyl-5-(1-oxaspiro[4.5]decan-2-ylmethyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole

C17H30N2O — CID 102899450

IUPAC4-methyl-5-(1-oxaspiro[4.5]decan-2-ylmethyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
SMILESCC1C2CNCC2CN1CC1CCC2(CCCCC2)O1
InChIInChI=1S/C17H30N2O/c1-13-16-10-18-9-14(16)11-19(13)12-15-5-8-17(20-15)6-3-2-4-7-17/h13-16,18H,2-12H2,1H3
InChIKeyNYHRTGRFWJFMBZ-UHFFFAOYSA-N
MW278.44 g/mol
LogP2.41
Rot. Bonds2

About 4-methyl-5-(1-oxaspiro[4.5]decan-2-ylmethyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole

4-methyl-5-(1-oxaspiro[4.5]decan-2-ylmethyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole (PubChem CID 102899450) has the molecular formula C17H30N2O and a molecular weight of 278.44 g/mol. Its IUPAC name is 4-methyl-5-(1-oxaspiro[4.5]decan-2-ylmethyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole.

Molecular Properties

Compound Name4-methyl-5-(1-oxaspiro[4.5]decan-2-ylmethyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
PubChem CID102899450
Molecular FormulaC17H30N2O
Molecular Weight278.44 g/mol
Exact Mass278.24
IUPAC Name4-methyl-5-(1-oxaspiro[4.5]decan-2-ylmethyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
SMILESCC1C2CNCC2CN1CC1CCC2(CCCCC2)O1
InChIInChI=1S/C17H30N2O/c1-13-16-10-18-9-14(16)11-19(13)12-15-5-8-17(20-15)6-3-2-4-7-17/h13-16,18H,2-12H2,1H3
InChIKeyNYHRTGRFWJFMBZ-UHFFFAOYSA-N
XLogP2.41
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-methyl-5-(1-oxaspiro[4.5]decan-2-ylmethyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole with MolForge

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Related Compounds

5-(1-oxaspiro[4.5]decan-2-ylmethyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 102848065
3,7-dimethyl-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)-1,4-diazepane
CID 102901677
2-methyl-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)pyrrolidine-3-carboxylic acid
CID 102899249
5,5-diethyl-2-methyl-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperazine
CID 102901650
2-methyl-1-(1-oxaspiro[4.5]decan-2-ylmethyl)piperidin-4-amine
CID 102899492
[3-methyl-1-(1-oxaspiro[4.5]decan-2-ylmethyl)piperidin-2-yl]methanamine
CID 102898455
2-cyclopropyl-2,5-dimethyl-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperazine
CID 102901615
5-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)-4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 66207982
N'-hydroxy-1-(1-oxaspiro[4.5]decan-2-ylmethyl)piperidine-2-carboximidamide
CID 102848164
4-methyl-5-(6-oxaspiro[4.5]decan-9-yl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 79899136
2-ethyl-5,5-dimethyl-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperazine
CID 102901626
1-fluoro-3-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)propan-2-ol
CID 131181807

Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-(1-oxaspiro[4.5]decan-2-ylmethyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole?
The IUPAC name of 4-methyl-5-(1-oxaspiro[4.5]decan-2-ylmethyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole (CID 102899450) is 4-methyl-5-(1-oxaspiro[4.5]decan-2-ylmethyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole.
What is the SMILES notation for 4-methyl-5-(1-oxaspiro[4.5]decan-2-ylmethyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole?
The canonical SMILES for 4-methyl-5-(1-oxaspiro[4.5]decan-2-ylmethyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole is CC1C2CNCC2CN1CC1CCC2(CCCCC2)O1.
What is the InChIKey of 4-methyl-5-(1-oxaspiro[4.5]decan-2-ylmethyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole?
The InChIKey is NYHRTGRFWJFMBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O/c1-13-16-10-18-9-14(16)11-19(13)12-15-5-8-17(20-15)6-3-2-4-7-17/h13-16,18H,2-12H2,1H3.
What are the key properties of 4-methyl-5-(1-oxaspiro[4.5]decan-2-ylmethyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole?
4-methyl-5-(1-oxaspiro[4.5]decan-2-ylmethyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole has a molecular weight of 278.44 g/mol, XLogP of 2.41, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-(1-oxaspiro[4.5]decan-2-ylmethyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole is sourced from PubChem (CID 102899450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).