methyl 2-[(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)methyl]furan-3-carboxylate

C14H20N2O3 — CID 66208266

IUPACmethyl 2-[(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)methyl]furan-3-carboxylate
SMILESCOC(=O)c1ccoc1CN1CC2CNCC2C1C
InChIInChI=1S/C14H20N2O3/c1-9-12-6-15-5-10(12)7-16(9)8-13-11(3-4-19-13)14(17)18-2/h3-4,9-10,12,15H,5-8H2,1-2H3
InChIKeyNNVWHDSQYUZOHF-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.11
Rot. Bonds3

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

methyl 2-[(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)methyl]furan-3-carboxylate (PubChem CID 66208266) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is methyl 2-[(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)methyl]furan-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-[(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)methyl]furan-3-carboxylate
PubChem CID66208266
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Namemethyl 2-[(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)methyl]furan-3-carboxylate
SMILESCOC(=O)c1ccoc1CN1CC2CNCC2C1C
InChIInChI=1S/C14H20N2O3/c1-9-12-6-15-5-10(12)7-16(9)8-13-11(3-4-19-13)14(17)18-2/h3-4,9-10,12,15H,5-8H2,1-2H3
InChIKeyNNVWHDSQYUZOHF-UHFFFAOYSA-N
XLogP1.11
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 2-[(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)methyl]furan-3-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)methyl]furan-3-carboxylate?
The IUPAC name of methyl 2-[(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)methyl]furan-3-carboxylate (CID 66208266) is methyl 2-[(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)methyl]furan-3-carboxylate.
What is the SMILES notation for methyl 2-[(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)methyl]furan-3-carboxylate?
The canonical SMILES for methyl 2-[(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)methyl]furan-3-carboxylate is COC(=O)c1ccoc1CN1CC2CNCC2C1C.
What is the InChIKey of methyl 2-[(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)methyl]furan-3-carboxylate?
The InChIKey is NNVWHDSQYUZOHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-9-12-6-15-5-10(12)7-16(9)8-13-11(3-4-19-13)14(17)18-2/h3-4,9-10,12,15H,5-8H2,1-2H3.
What are the key properties of methyl 2-[(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)methyl]furan-3-carboxylate?
methyl 2-[(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)methyl]furan-3-carboxylate has a molecular weight of 264.32 g/mol, XLogP of 1.11, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)methyl]furan-3-carboxylate is sourced from PubChem (CID 66208266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).