1-(5-methyl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-4-yl)ethanone

C9H15NO2 — CID 58850021

IUPAC1-(5-methyl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-4-yl)ethanone
SMILESCC(=O)C1C2CCOC2CN1C
InChIInChI=1S/C9H15NO2/c1-6(11)9-7-3-4-12-8(7)5-10(9)2/h7-9H,3-5H2,1-2H3
InChIKeyDQYHAVRQVCKYQZ-UHFFFAOYSA-N
MW169.22 g/mol
LogP0.29
Rot. Bonds1

About 1-(5-methyl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-4-yl)ethanone

1-(5-methyl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-4-yl)ethanone (PubChem CID 58850021) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is 1-(5-methyl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-4-yl)ethanone.

Molecular Properties

Compound Name1-(5-methyl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-4-yl)ethanone
PubChem CID58850021
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Name1-(5-methyl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-4-yl)ethanone
SMILESCC(=O)C1C2CCOC2CN1C
InChIInChI=1S/C9H15NO2/c1-6(11)9-7-3-4-12-8(7)5-10(9)2/h7-9H,3-5H2,1-2H3
InChIKeyDQYHAVRQVCKYQZ-UHFFFAOYSA-N
XLogP0.29
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 50.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(5-methyl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-4-yl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-4-yl)ethanone?
The IUPAC name of 1-(5-methyl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-4-yl)ethanone (CID 58850021) is 1-(5-methyl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-4-yl)ethanone.
What is the SMILES notation for 1-(5-methyl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-4-yl)ethanone?
The canonical SMILES for 1-(5-methyl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-4-yl)ethanone is CC(=O)C1C2CCOC2CN1C.
What is the InChIKey of 1-(5-methyl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-4-yl)ethanone?
The InChIKey is DQYHAVRQVCKYQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2/c1-6(11)9-7-3-4-12-8(7)5-10(9)2/h7-9H,3-5H2,1-2H3.
What are the key properties of 1-(5-methyl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-4-yl)ethanone?
1-(5-methyl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-4-yl)ethanone has a molecular weight of 169.22 g/mol, XLogP of 0.29, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-4-yl)ethanone is sourced from PubChem (CID 58850021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).