1,3-diethyl-1,3,3a,5,6,6a-hexahydrofuro[3,4-c]pyrrol-4-one

C10H17NO2 — CID 20743825

IUPAC1,3-diethyl-1,3,3a,5,6,6a-hexahydrofuro[3,4-c]pyrrol-4-one
SMILESCCC1OC(CC)C2C(=O)NCC12
InChIInChI=1S/C10H17NO2/c1-3-7-6-5-11-10(12)9(6)8(4-2)13-7/h6-9H,3-5H2,1-2H3,(H,11,12)
InChIKeyGRZWRSKEFYDUMO-UHFFFAOYSA-N
MW183.25 g/mol
LogP0.94
Rot. Bonds2

About 1,3-diethyl-1,3,3a,5,6,6a-hexahydrofuro[3,4-c]pyrrol-4-one

1,3-diethyl-1,3,3a,5,6,6a-hexahydrofuro[3,4-c]pyrrol-4-one (PubChem CID 20743825) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is 1,3-diethyl-1,3,3a,5,6,6a-hexahydrofuro[3,4-c]pyrrol-4-one.

Molecular Properties

Compound Name1,3-diethyl-1,3,3a,5,6,6a-hexahydrofuro[3,4-c]pyrrol-4-one
PubChem CID20743825
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name1,3-diethyl-1,3,3a,5,6,6a-hexahydrofuro[3,4-c]pyrrol-4-one
SMILESCCC1OC(CC)C2C(=O)NCC12
InChIInChI=1S/C10H17NO2/c1-3-7-6-5-11-10(12)9(6)8(4-2)13-7/h6-9H,3-5H2,1-2H3,(H,11,12)
InChIKeyGRZWRSKEFYDUMO-UHFFFAOYSA-N
XLogP0.94
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,3-diethyl-1,3,3a,5,6,6a-hexahydrofuro[3,4-c]pyrrol-4-one?
The IUPAC name of 1,3-diethyl-1,3,3a,5,6,6a-hexahydrofuro[3,4-c]pyrrol-4-one (CID 20743825) is 1,3-diethyl-1,3,3a,5,6,6a-hexahydrofuro[3,4-c]pyrrol-4-one.
What is the SMILES notation for 1,3-diethyl-1,3,3a,5,6,6a-hexahydrofuro[3,4-c]pyrrol-4-one?
The canonical SMILES for 1,3-diethyl-1,3,3a,5,6,6a-hexahydrofuro[3,4-c]pyrrol-4-one is CCC1OC(CC)C2C(=O)NCC12.
What is the InChIKey of 1,3-diethyl-1,3,3a,5,6,6a-hexahydrofuro[3,4-c]pyrrol-4-one?
The InChIKey is GRZWRSKEFYDUMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2/c1-3-7-6-5-11-10(12)9(6)8(4-2)13-7/h6-9H,3-5H2,1-2H3,(H,11,12).
What are the key properties of 1,3-diethyl-1,3,3a,5,6,6a-hexahydrofuro[3,4-c]pyrrol-4-one?
1,3-diethyl-1,3,3a,5,6,6a-hexahydrofuro[3,4-c]pyrrol-4-one has a molecular weight of 183.25 g/mol, XLogP of 0.94, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diethyl-1,3,3a,5,6,6a-hexahydrofuro[3,4-c]pyrrol-4-one is sourced from PubChem (CID 20743825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).