4,4-dimethyl-5-(6-oxaspiro[4.5]decan-9-yl)-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole

C17H30N2O — CID 79901492

IUPAC4,4-dimethyl-5-(6-oxaspiro[4.5]decan-9-yl)-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole
SMILESCC1(C)C2CNCC2CN1C1CCOC2(CCCC2)C1
InChIInChI=1S/C17H30N2O/c1-16(2)15-11-18-10-13(15)12-19(16)14-5-8-20-17(9-14)6-3-4-7-17/h13-15,18H,3-12H2,1-2H3
InChIKeyMMCQJRHJLIZESM-UHFFFAOYSA-N
MW278.44 g/mol
LogP2.41
Rot. Bonds1

About 4,4-dimethyl-5-(6-oxaspiro[4.5]decan-9-yl)-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole

4,4-dimethyl-5-(6-oxaspiro[4.5]decan-9-yl)-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole (PubChem CID 79901492) has the molecular formula C17H30N2O and a molecular weight of 278.44 g/mol. Its IUPAC name is 4,4-dimethyl-5-(6-oxaspiro[4.5]decan-9-yl)-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole.

Molecular Properties

Compound Name4,4-dimethyl-5-(6-oxaspiro[4.5]decan-9-yl)-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole
PubChem CID79901492
Molecular FormulaC17H30N2O
Molecular Weight278.44 g/mol
Exact Mass278.24
IUPAC Name4,4-dimethyl-5-(6-oxaspiro[4.5]decan-9-yl)-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole
SMILESCC1(C)C2CNCC2CN1C1CCOC2(CCCC2)C1
InChIInChI=1S/C17H30N2O/c1-16(2)15-11-18-10-13(15)12-19(16)14-5-8-20-17(9-14)6-3-4-7-17/h13-15,18H,3-12H2,1-2H3
InChIKeyMMCQJRHJLIZESM-UHFFFAOYSA-N
XLogP2.41
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
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 4,4-dimethyl-5-(6-oxaspiro[4.5]decan-9-yl)-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole 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

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
2,2-dimethyl-1-(1-oxaspiro[5.5]undecan-4-yl)piperazine
CID 79902972
4,4-dimethyl-5-(2-propan-2-yloxan-4-yl)-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 66209935
5-(1-ethylpiperidin-4-yl)-4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 66242710
4-ethyl-5-(1-oxaspiro[5.5]undecan-4-yl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 79902262
2-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)piperidine-2-carboxylic acid
CID 104598676
5-(4-tert-butylcycloheptyl)-4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 66209937
4,4-dimethyl-5-(3,3,5-trimethylcyclohexyl)-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 66210328
2-(4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)cyclopentan-1-ol
CID 66244643
4,4-dimethyl-5-(oxolan-2-ylmethyl)-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 66243797
3-methyl-1-(6-oxaspiro[4.5]decan-9-yl)azetidin-3-ol
CID 79920128
(4aS,7aS)-6-(1-oxaspiro[5.5]undecan-4-yl)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 102682694

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-5-(6-oxaspiro[4.5]decan-9-yl)-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole?
The IUPAC name of 4,4-dimethyl-5-(6-oxaspiro[4.5]decan-9-yl)-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole (CID 79901492) is 4,4-dimethyl-5-(6-oxaspiro[4.5]decan-9-yl)-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole.
What is the SMILES notation for 4,4-dimethyl-5-(6-oxaspiro[4.5]decan-9-yl)-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole?
The canonical SMILES for 4,4-dimethyl-5-(6-oxaspiro[4.5]decan-9-yl)-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole is CC1(C)C2CNCC2CN1C1CCOC2(CCCC2)C1.
What is the InChIKey of 4,4-dimethyl-5-(6-oxaspiro[4.5]decan-9-yl)-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole?
The InChIKey is MMCQJRHJLIZESM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O/c1-16(2)15-11-18-10-13(15)12-19(16)14-5-8-20-17(9-14)6-3-4-7-17/h13-15,18H,3-12H2,1-2H3.
What are the key properties of 4,4-dimethyl-5-(6-oxaspiro[4.5]decan-9-yl)-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole?
4,4-dimethyl-5-(6-oxaspiro[4.5]decan-9-yl)-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole has a molecular weight of 278.44 g/mol, XLogP of 2.41, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-5-(6-oxaspiro[4.5]decan-9-yl)-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole is sourced from PubChem (CID 79901492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).