4-methyl-5-(6-oxaspiro[4.5]decan-9-yl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole

C16H28N2O — CID 79899136

IUPAC4-methyl-5-(6-oxaspiro[4.5]decan-9-yl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
SMILESCC1C2CNCC2CN1C1CCOC2(CCCC2)C1
InChIInChI=1S/C16H28N2O/c1-12-15-10-17-9-13(15)11-18(12)14-4-7-19-16(8-14)5-2-3-6-16/h12-15,17H,2-11H2,1H3
InChIKeySJEKCZREAIKDRV-UHFFFAOYSA-N
MW264.41 g/mol
LogP2.02
Rot. Bonds1

About 4-methyl-5-(6-oxaspiro[4.5]decan-9-yl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole

4-methyl-5-(6-oxaspiro[4.5]decan-9-yl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole (PubChem CID 79899136) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is 4-methyl-5-(6-oxaspiro[4.5]decan-9-yl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole.

Molecular Properties

Compound Name4-methyl-5-(6-oxaspiro[4.5]decan-9-yl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
PubChem CID79899136
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC Name4-methyl-5-(6-oxaspiro[4.5]decan-9-yl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
SMILESCC1C2CNCC2CN1C1CCOC2(CCCC2)C1
InChIInChI=1S/C16H28N2O/c1-12-15-10-17-9-13(15)11-18(12)14-4-7-19-16(8-14)5-2-3-6-16/h12-15,17H,2-11H2,1H3
InChIKeySJEKCZREAIKDRV-UHFFFAOYSA-N
XLogP2.02
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-methyl-5-(6-oxaspiro[4.5]decan-9-yl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[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

5-(2,6-dioxaspiro[4.5]decan-9-yl)-4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 79898828
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
4,4-dimethyl-5-(6-oxaspiro[4.5]decan-9-yl)-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 79901492
4-methyl-5-(2-methyloxan-4-yl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 66213020
3-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)piperazine
CID 79902020
1-(1,9-dioxaspiro[5.5]undecan-4-yl)-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 102681507
[3-methyl-1-(6-oxaspiro[4.5]decan-9-yl)pyrrolidin-2-yl]methanol
CID 102787849
1-(1-oxaspiro[5.5]undecan-4-yl)azetidin-3-amine
CID 79900905
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
3-methyl-1-(6-oxaspiro[4.5]decan-9-yl)azetidin-3-ol
CID 79920128
4-methyl-5-(1-propan-2-ylazepan-4-yl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 66212234
1-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-methylpiperazine
CID 79901478

Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-(6-oxaspiro[4.5]decan-9-yl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole?
The IUPAC name of 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) is 4-methyl-5-(6-oxaspiro[4.5]decan-9-yl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole.
What is the SMILES notation for 4-methyl-5-(6-oxaspiro[4.5]decan-9-yl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole?
The canonical SMILES for 4-methyl-5-(6-oxaspiro[4.5]decan-9-yl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole is CC1C2CNCC2CN1C1CCOC2(CCCC2)C1.
What is the InChIKey of 4-methyl-5-(6-oxaspiro[4.5]decan-9-yl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole?
The InChIKey is SJEKCZREAIKDRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c1-12-15-10-17-9-13(15)11-18(12)14-4-7-19-16(8-14)5-2-3-6-16/h12-15,17H,2-11H2,1H3.
What are the key properties of 4-methyl-5-(6-oxaspiro[4.5]decan-9-yl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole?
4-methyl-5-(6-oxaspiro[4.5]decan-9-yl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole has a molecular weight of 264.41 g/mol, XLogP of 2.02, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-(6-oxaspiro[4.5]decan-9-yl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole is sourced from PubChem (CID 79899136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).