4-methyl-3a-propan-2-yl-2,3,6,6a-tetrahydrofuro[3,2-b]pyrrol-5-one

C10H17NO2 — CID 167428021

IUPAC4-methyl-3a-propan-2-yl-2,3,6,6a-tetrahydrofuro[3,2-b]pyrrol-5-one
SMILESCC(C)C12CCOC1CC(=O)N2C
InChIInChI=1S/C10H17NO2/c1-7(2)10-4-5-13-8(10)6-9(12)11(10)3/h7-8H,4-6H2,1-3H3
InChIKeyZQXQXUKGQGKBKA-UHFFFAOYSA-N
MW183.25 g/mol
LogP1.03
Rot. Bonds1

About 4-methyl-3a-propan-2-yl-2,3,6,6a-tetrahydrofuro[3,2-b]pyrrol-5-one

4-methyl-3a-propan-2-yl-2,3,6,6a-tetrahydrofuro[3,2-b]pyrrol-5-one (PubChem CID 167428021) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is 4-methyl-3a-propan-2-yl-2,3,6,6a-tetrahydrofuro[3,2-b]pyrrol-5-one.

Molecular Properties

Compound Name4-methyl-3a-propan-2-yl-2,3,6,6a-tetrahydrofuro[3,2-b]pyrrol-5-one
PubChem CID167428021
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name4-methyl-3a-propan-2-yl-2,3,6,6a-tetrahydrofuro[3,2-b]pyrrol-5-one
SMILESCC(C)C12CCOC1CC(=O)N2C
InChIInChI=1S/C10H17NO2/c1-7(2)10-4-5-13-8(10)6-9(12)11(10)3/h7-8H,4-6H2,1-3H3
InChIKeyZQXQXUKGQGKBKA-UHFFFAOYSA-N
XLogP1.03
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-3a-propan-2-yl-2,3,6,6a-tetrahydrofuro[3,2-b]pyrrol-5-one?
The IUPAC name of 4-methyl-3a-propan-2-yl-2,3,6,6a-tetrahydrofuro[3,2-b]pyrrol-5-one (CID 167428021) is 4-methyl-3a-propan-2-yl-2,3,6,6a-tetrahydrofuro[3,2-b]pyrrol-5-one.
What is the SMILES notation for 4-methyl-3a-propan-2-yl-2,3,6,6a-tetrahydrofuro[3,2-b]pyrrol-5-one?
The canonical SMILES for 4-methyl-3a-propan-2-yl-2,3,6,6a-tetrahydrofuro[3,2-b]pyrrol-5-one is CC(C)C12CCOC1CC(=O)N2C.
What is the InChIKey of 4-methyl-3a-propan-2-yl-2,3,6,6a-tetrahydrofuro[3,2-b]pyrrol-5-one?
The InChIKey is ZQXQXUKGQGKBKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2/c1-7(2)10-4-5-13-8(10)6-9(12)11(10)3/h7-8H,4-6H2,1-3H3.
What are the key properties of 4-methyl-3a-propan-2-yl-2,3,6,6a-tetrahydrofuro[3,2-b]pyrrol-5-one?
4-methyl-3a-propan-2-yl-2,3,6,6a-tetrahydrofuro[3,2-b]pyrrol-5-one has a molecular weight of 183.25 g/mol, XLogP of 1.03, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3a-propan-2-yl-2,3,6,6a-tetrahydrofuro[3,2-b]pyrrol-5-one is sourced from PubChem (CID 167428021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).