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

C13H24N2O — CID 66213020

IUPAC4-methyl-5-(2-methyloxan-4-yl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
SMILESCC1CC(N2CC3CNCC3C2C)CCO1
InChIInChI=1S/C13H24N2O/c1-9-5-12(3-4-16-9)15-8-11-6-14-7-13(11)10(15)2/h9-14H,3-8H2,1-2H3
InChIKeyMBHDARODOHUKRO-UHFFFAOYSA-N
MW224.35 g/mol
LogP1.09
Rot. Bonds1

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

4-methyl-5-(2-methyloxan-4-yl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole (PubChem CID 66213020) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is 4-methyl-5-(2-methyloxan-4-yl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole.

Molecular Properties

Compound Name4-methyl-5-(2-methyloxan-4-yl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
PubChem CID66213020
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Name4-methyl-5-(2-methyloxan-4-yl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
SMILESCC1CC(N2CC3CNCC3C2C)CCO1
InChIInChI=1S/C13H24N2O/c1-9-5-12(3-4-16-9)15-8-11-6-14-7-13(11)10(15)2/h9-14H,3-8H2,1-2H3
InChIKeyMBHDARODOHUKRO-UHFFFAOYSA-N
XLogP1.09
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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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
5-(3-methoxycyclobutyl)-4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
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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
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4-methyl-5-(4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
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4-ethyl-5-(oxepan-4-yl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
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4-methyl-5-propan-2-yl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
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Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-(2-methyloxan-4-yl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole?
The IUPAC name of 4-methyl-5-(2-methyloxan-4-yl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole (CID 66213020) is 4-methyl-5-(2-methyloxan-4-yl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole.
What is the SMILES notation for 4-methyl-5-(2-methyloxan-4-yl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole?
The canonical SMILES for 4-methyl-5-(2-methyloxan-4-yl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole is CC1CC(N2CC3CNCC3C2C)CCO1.
What is the InChIKey of 4-methyl-5-(2-methyloxan-4-yl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole?
The InChIKey is MBHDARODOHUKRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c1-9-5-12(3-4-16-9)15-8-11-6-14-7-13(11)10(15)2/h9-14H,3-8H2,1-2H3.
What are the key properties of 4-methyl-5-(2-methyloxan-4-yl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole?
4-methyl-5-(2-methyloxan-4-yl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole has a molecular weight of 224.35 g/mol, XLogP of 1.09, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-(2-methyloxan-4-yl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole is sourced from PubChem (CID 66213020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).