methyl 2,2,5-trimethyl-3a,4,6,6a-tetrahydro-3H-furo[2,3-c]pyrrole-4-carboxylate

C11H19NO3 — CID 71142758

IUPACmethyl 2,2,5-trimethyl-3a,4,6,6a-tetrahydro-3H-furo[2,3-c]pyrrole-4-carboxylate
SMILESCOC(=O)C1C2CC(C)(C)OC2CN1C
InChIInChI=1S/C11H19NO3/c1-11(2)5-7-8(15-11)6-12(3)9(7)10(13)14-4/h7-9H,5-6H2,1-4H3
InChIKeyUNHXSUGBKBQVNI-UHFFFAOYSA-N
MW213.28 g/mol
LogP0.66
Rot. Bonds1

About methyl 2,2,5-trimethyl-3a,4,6,6a-tetrahydro-3H-furo[2,3-c]pyrrole-4-carboxylate

methyl 2,2,5-trimethyl-3a,4,6,6a-tetrahydro-3H-furo[2,3-c]pyrrole-4-carboxylate (PubChem CID 71142758) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is methyl 2,2,5-trimethyl-3a,4,6,6a-tetrahydro-3H-furo[2,3-c]pyrrole-4-carboxylate.

Molecular Properties

Compound Namemethyl 2,2,5-trimethyl-3a,4,6,6a-tetrahydro-3H-furo[2,3-c]pyrrole-4-carboxylate
PubChem CID71142758
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Namemethyl 2,2,5-trimethyl-3a,4,6,6a-tetrahydro-3H-furo[2,3-c]pyrrole-4-carboxylate
SMILESCOC(=O)C1C2CC(C)(C)OC2CN1C
InChIInChI=1S/C11H19NO3/c1-11(2)5-7-8(15-11)6-12(3)9(7)10(13)14-4/h7-9H,5-6H2,1-4H3
InChIKeyUNHXSUGBKBQVNI-UHFFFAOYSA-N
XLogP0.66
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 50.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2,2,5-trimethyl-3a,4,6,6a-tetrahydro-3H-furo[2,3-c]pyrrole-4-carboxylate?
The IUPAC name of methyl 2,2,5-trimethyl-3a,4,6,6a-tetrahydro-3H-furo[2,3-c]pyrrole-4-carboxylate (CID 71142758) is methyl 2,2,5-trimethyl-3a,4,6,6a-tetrahydro-3H-furo[2,3-c]pyrrole-4-carboxylate.
What is the SMILES notation for methyl 2,2,5-trimethyl-3a,4,6,6a-tetrahydro-3H-furo[2,3-c]pyrrole-4-carboxylate?
The canonical SMILES for methyl 2,2,5-trimethyl-3a,4,6,6a-tetrahydro-3H-furo[2,3-c]pyrrole-4-carboxylate is COC(=O)C1C2CC(C)(C)OC2CN1C.
What is the InChIKey of methyl 2,2,5-trimethyl-3a,4,6,6a-tetrahydro-3H-furo[2,3-c]pyrrole-4-carboxylate?
The InChIKey is UNHXSUGBKBQVNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3/c1-11(2)5-7-8(15-11)6-12(3)9(7)10(13)14-4/h7-9H,5-6H2,1-4H3.
What are the key properties of methyl 2,2,5-trimethyl-3a,4,6,6a-tetrahydro-3H-furo[2,3-c]pyrrole-4-carboxylate?
methyl 2,2,5-trimethyl-3a,4,6,6a-tetrahydro-3H-furo[2,3-c]pyrrole-4-carboxylate has a molecular weight of 213.28 g/mol, XLogP of 0.66, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,2,5-trimethyl-3a,4,6,6a-tetrahydro-3H-furo[2,3-c]pyrrole-4-carboxylate is sourced from PubChem (CID 71142758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).