1,3-diethyl-5-methyl-1,3,3a,6a-tetrahydrofuro[3,4-c]pyrrole-4,6-dione

C11H17NO3 — CID 20743821

IUPAC1,3-diethyl-5-methyl-1,3,3a,6a-tetrahydrofuro[3,4-c]pyrrole-4,6-dione
SMILESCCC1OC(CC)C2C(=O)N(C)C(=O)C12
InChIInChI=1S/C11H17NO3/c1-4-6-8-9(7(5-2)15-6)11(14)12(3)10(8)13/h6-9H,4-5H2,1-3H3
InChIKeyVHTPGMCXGGPWRA-UHFFFAOYSA-N
MW211.26 g/mol
LogP0.80
Rot. Bonds2

About 1,3-diethyl-5-methyl-1,3,3a,6a-tetrahydrofuro[3,4-c]pyrrole-4,6-dione

1,3-diethyl-5-methyl-1,3,3a,6a-tetrahydrofuro[3,4-c]pyrrole-4,6-dione (PubChem CID 20743821) has the molecular formula C11H17NO3 and a molecular weight of 211.26 g/mol. Its IUPAC name is 1,3-diethyl-5-methyl-1,3,3a,6a-tetrahydrofuro[3,4-c]pyrrole-4,6-dione.

Molecular Properties

Compound Name1,3-diethyl-5-methyl-1,3,3a,6a-tetrahydrofuro[3,4-c]pyrrole-4,6-dione
PubChem CID20743821
Molecular FormulaC11H17NO3
Molecular Weight211.26 g/mol
Exact Mass211.12
IUPAC Name1,3-diethyl-5-methyl-1,3,3a,6a-tetrahydrofuro[3,4-c]pyrrole-4,6-dione
SMILESCCC1OC(CC)C2C(=O)N(C)C(=O)C12
InChIInChI=1S/C11H17NO3/c1-4-6-8-9(7(5-2)15-6)11(14)12(3)10(8)13/h6-9H,4-5H2,1-3H3
InChIKeyVHTPGMCXGGPWRA-UHFFFAOYSA-N
XLogP0.80
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 50.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

CID 251544
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CID 52941824
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CID 52946675
CID 52946675
CID 155560
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CID 10891227
CID 10891227
CID 11023214
CID 11023214
CID 12483129
CID 12483129
CID 44434952
CID 44434952
CID 44434953
CID 44434953
CID 44434955
CID 44434955
CID 46201529
CID 46201529
CID 52944235
CID 52944235

Frequently Asked Questions

What is the IUPAC name of 1,3-diethyl-5-methyl-1,3,3a,6a-tetrahydrofuro[3,4-c]pyrrole-4,6-dione?
The IUPAC name of 1,3-diethyl-5-methyl-1,3,3a,6a-tetrahydrofuro[3,4-c]pyrrole-4,6-dione (CID 20743821) is 1,3-diethyl-5-methyl-1,3,3a,6a-tetrahydrofuro[3,4-c]pyrrole-4,6-dione.
What is the SMILES notation for 1,3-diethyl-5-methyl-1,3,3a,6a-tetrahydrofuro[3,4-c]pyrrole-4,6-dione?
The canonical SMILES for 1,3-diethyl-5-methyl-1,3,3a,6a-tetrahydrofuro[3,4-c]pyrrole-4,6-dione is CCC1OC(CC)C2C(=O)N(C)C(=O)C12.
What is the InChIKey of 1,3-diethyl-5-methyl-1,3,3a,6a-tetrahydrofuro[3,4-c]pyrrole-4,6-dione?
The InChIKey is VHTPGMCXGGPWRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3/c1-4-6-8-9(7(5-2)15-6)11(14)12(3)10(8)13/h6-9H,4-5H2,1-3H3.
What are the key properties of 1,3-diethyl-5-methyl-1,3,3a,6a-tetrahydrofuro[3,4-c]pyrrole-4,6-dione?
1,3-diethyl-5-methyl-1,3,3a,6a-tetrahydrofuro[3,4-c]pyrrole-4,6-dione has a molecular weight of 211.26 g/mol, XLogP of 0.80, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diethyl-5-methyl-1,3,3a,6a-tetrahydrofuro[3,4-c]pyrrole-4,6-dione is sourced from PubChem (CID 20743821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).