4-ethyl-5-(1-oxaspiro[5.5]undecan-4-yl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole

C18H32N2O — CID 79902262

IUPAC4-ethyl-5-(1-oxaspiro[5.5]undecan-4-yl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
SMILESCCC1C2CNCC2CN1C1CCOC2(CCCCC2)C1
InChIInChI=1S/C18H32N2O/c1-2-17-16-12-19-11-14(16)13-20(17)15-6-9-21-18(10-15)7-4-3-5-8-18/h14-17,19H,2-13H2,1H3
InChIKeyJYLSGKPNSGTXRQ-UHFFFAOYSA-N
MW292.47 g/mol
LogP2.80
Rot. Bonds2

About 4-ethyl-5-(1-oxaspiro[5.5]undecan-4-yl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole

4-ethyl-5-(1-oxaspiro[5.5]undecan-4-yl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole (PubChem CID 79902262) has the molecular formula C18H32N2O and a molecular weight of 292.47 g/mol. Its IUPAC name is 4-ethyl-5-(1-oxaspiro[5.5]undecan-4-yl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole.

Molecular Properties

Compound Name4-ethyl-5-(1-oxaspiro[5.5]undecan-4-yl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
PubChem CID79902262
Molecular FormulaC18H32N2O
Molecular Weight292.47 g/mol
Exact Mass292.25
IUPAC Name4-ethyl-5-(1-oxaspiro[5.5]undecan-4-yl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
SMILESCCC1C2CNCC2CN1C1CCOC2(CCCCC2)C1
InChIInChI=1S/C18H32N2O/c1-2-17-16-12-19-11-14(16)13-20(17)15-6-9-21-18(10-15)7-4-3-5-8-18/h14-17,19H,2-13H2,1H3
InChIKeyJYLSGKPNSGTXRQ-UHFFFAOYSA-N
XLogP2.80
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.47
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-ethyl-5-(1-oxaspiro[5.5]undecan-4-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

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
4-ethyl-5-(oxepan-4-yl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 66209078
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-ethylazepan-4-yl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 66209077
4,4-dimethyl-5-(6-oxaspiro[4.5]decan-9-yl)-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 79901492
[3-methyl-1-(6-oxaspiro[4.5]decan-9-yl)pyrrolidin-2-yl]methanol
CID 102787849
5-(2-tert-butylcyclohexyl)-4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 66210419
[4-ethyl-1-(1-oxaspiro[5.5]undecan-4-yl)piperidin-2-yl]methanamine
CID 103353008
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
1-(1,9-dioxaspiro[5.5]undecan-4-yl)-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 102681507
[1-(1-oxaspiro[5.5]undecan-4-yl)pyrrolidin-2-yl]methanol
CID 79920119
[1-(6-oxaspiro[4.5]decan-9-yl)azepan-2-yl]methanol
CID 116637254

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-5-(1-oxaspiro[5.5]undecan-4-yl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole?
The IUPAC name of 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) is 4-ethyl-5-(1-oxaspiro[5.5]undecan-4-yl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole.
What is the SMILES notation for 4-ethyl-5-(1-oxaspiro[5.5]undecan-4-yl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole?
The canonical SMILES for 4-ethyl-5-(1-oxaspiro[5.5]undecan-4-yl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole is CCC1C2CNCC2CN1C1CCOC2(CCCCC2)C1.
What is the InChIKey of 4-ethyl-5-(1-oxaspiro[5.5]undecan-4-yl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole?
The InChIKey is JYLSGKPNSGTXRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O/c1-2-17-16-12-19-11-14(16)13-20(17)15-6-9-21-18(10-15)7-4-3-5-8-18/h14-17,19H,2-13H2,1H3.
What are the key properties of 4-ethyl-5-(1-oxaspiro[5.5]undecan-4-yl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole?
4-ethyl-5-(1-oxaspiro[5.5]undecan-4-yl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole has a molecular weight of 292.47 g/mol, XLogP of 2.80, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-5-(1-oxaspiro[5.5]undecan-4-yl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole is sourced from PubChem (CID 79902262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).