(3aR,6aS)-3a,6a-bis(methoxymethyl)-5-methyl-2,3,4,6-tetrahydro-1H-pyrrolo[3,4-c]pyrrole

C11H22N2O2 — CID 70853374

IUPAC(3aR,6aS)-3a,6a-bis(methoxymethyl)-5-methyl-2,3,4,6-tetrahydro-1H-pyrrolo[3,4-c]pyrrole
SMILESCOC[C@]12CNC[C@@]1(COC)CN(C)C2
InChIInChI=1S/C11H22N2O2/c1-13-6-10(8-14-2)4-12-5-11(10,7-13)9-15-3/h12H,4-9H2,1-3H3/t10-,11+
InChIKeyQQYSRSIIIRXSAQ-PHIMTYICSA-N
MW214.31 g/mol
LogP-0.20
Rot. Bonds4

About (3aR,6aS)-3a,6a-bis(methoxymethyl)-5-methyl-2,3,4,6-tetrahydro-1H-pyrrolo[3,4-c]pyrrole

(3aR,6aS)-3a,6a-bis(methoxymethyl)-5-methyl-2,3,4,6-tetrahydro-1H-pyrrolo[3,4-c]pyrrole (PubChem CID 70853374) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is (3aR,6aS)-3a,6a-bis(methoxymethyl)-5-methyl-2,3,4,6-tetrahydro-1H-pyrrolo[3,4-c]pyrrole.

Molecular Properties

Compound Name(3aR,6aS)-3a,6a-bis(methoxymethyl)-5-methyl-2,3,4,6-tetrahydro-1H-pyrrolo[3,4-c]pyrrole
PubChem CID70853374
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name(3aR,6aS)-3a,6a-bis(methoxymethyl)-5-methyl-2,3,4,6-tetrahydro-1H-pyrrolo[3,4-c]pyrrole
SMILESCOC[C@]12CNC[C@@]1(COC)CN(C)C2
InChIInChI=1S/C11H22N2O2/c1-13-6-10(8-14-2)4-12-5-11(10,7-13)9-15-3/h12H,4-9H2,1-3H3/t10-,11+
InChIKeyQQYSRSIIIRXSAQ-PHIMTYICSA-N
XLogP-0.20
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 5-0.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3aR,6aS)-3a,6a-bis(methoxymethyl)-5-methyl-2,3,4,6-tetrahydro-1H-pyrrolo[3,4-c]pyrrole?
The IUPAC name of (3aR,6aS)-3a,6a-bis(methoxymethyl)-5-methyl-2,3,4,6-tetrahydro-1H-pyrrolo[3,4-c]pyrrole (CID 70853374) is (3aR,6aS)-3a,6a-bis(methoxymethyl)-5-methyl-2,3,4,6-tetrahydro-1H-pyrrolo[3,4-c]pyrrole.
What is the SMILES notation for (3aR,6aS)-3a,6a-bis(methoxymethyl)-5-methyl-2,3,4,6-tetrahydro-1H-pyrrolo[3,4-c]pyrrole?
The canonical SMILES for (3aR,6aS)-3a,6a-bis(methoxymethyl)-5-methyl-2,3,4,6-tetrahydro-1H-pyrrolo[3,4-c]pyrrole is COC[C@]12CNC[C@@]1(COC)CN(C)C2.
What is the InChIKey of (3aR,6aS)-3a,6a-bis(methoxymethyl)-5-methyl-2,3,4,6-tetrahydro-1H-pyrrolo[3,4-c]pyrrole?
The InChIKey is QQYSRSIIIRXSAQ-PHIMTYICSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-13-6-10(8-14-2)4-12-5-11(10,7-13)9-15-3/h12H,4-9H2,1-3H3/t10-,11+.
What are the key properties of (3aR,6aS)-3a,6a-bis(methoxymethyl)-5-methyl-2,3,4,6-tetrahydro-1H-pyrrolo[3,4-c]pyrrole?
(3aR,6aS)-3a,6a-bis(methoxymethyl)-5-methyl-2,3,4,6-tetrahydro-1H-pyrrolo[3,4-c]pyrrole has a molecular weight of 214.31 g/mol, XLogP of -0.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,6aS)-3a,6a-bis(methoxymethyl)-5-methyl-2,3,4,6-tetrahydro-1H-pyrrolo[3,4-c]pyrrole is sourced from PubChem (CID 70853374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).