(3aR,4R,6aR)-4-ethyl-5-methyl-3a,4,6,6a-tetrahydro-3H-furo[2,3-c]pyrrol-2-one

C9H15NO2 — CID 59951938

IUPAC(3aR,4R,6aR)-4-ethyl-5-methyl-3a,4,6,6a-tetrahydro-3H-furo[2,3-c]pyrrol-2-one
SMILESCC[C@@H]1[C@H]2CC(=O)O[C@H]2CN1C
InChIInChI=1S/C9H15NO2/c1-3-7-6-4-9(11)12-8(6)5-10(7)2/h6-8H,3-5H2,1-2H3/t6-,7-,8+/m1/s1
InChIKeyBSMFSYIYIOSELN-PRJMDXOYSA-N
MW169.22 g/mol
LogP0.64
Rot. Bonds1

About (3aR,4R,6aR)-4-ethyl-5-methyl-3a,4,6,6a-tetrahydro-3H-furo[2,3-c]pyrrol-2-one

(3aR,4R,6aR)-4-ethyl-5-methyl-3a,4,6,6a-tetrahydro-3H-furo[2,3-c]pyrrol-2-one (PubChem CID 59951938) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is (3aR,4R,6aR)-4-ethyl-5-methyl-3a,4,6,6a-tetrahydro-3H-furo[2,3-c]pyrrol-2-one.

Molecular Properties

Compound Name(3aR,4R,6aR)-4-ethyl-5-methyl-3a,4,6,6a-tetrahydro-3H-furo[2,3-c]pyrrol-2-one
PubChem CID59951938
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Name(3aR,4R,6aR)-4-ethyl-5-methyl-3a,4,6,6a-tetrahydro-3H-furo[2,3-c]pyrrol-2-one
SMILESCC[C@@H]1[C@H]2CC(=O)O[C@H]2CN1C
InChIInChI=1S/C9H15NO2/c1-3-7-6-4-9(11)12-8(6)5-10(7)2/h6-8H,3-5H2,1-2H3/t6-,7-,8+/m1/s1
InChIKeyBSMFSYIYIOSELN-PRJMDXOYSA-N
XLogP0.64
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 ≤ 50.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (3aR,4R,6aR)-4-ethyl-5-methyl-3a,4,6,6a-tetrahydro-3H-furo[2,3-c]pyrrol-2-one with MolForge

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Related Compounds

Janfestine
CID 91748759
Hexahydrofuro[2,3,4-gh]pyrrolizin-2(2ah)-one
CID 420880
(4S,7R,10S)-5-oxa-1-azatricyclo[5.2.1.04,10]decan-6-one
CID 11137359
Platynecine 7,9-isovalerate diester
CID 148322
methyl (1R,7R,8R)-7-hydroxy-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1-carboxylate
CID 11435360
methyl 2,2-dimethyl-5-propan-2-yl-3a,4,6,6a-tetrahydro-3H-furo[2,3-c]pyrrole-4-carboxylate
CID 57601021
5-(2,2-dimethylpropyl)-3a,4,6,6a-tetrahydro-3H-furo[2,3-c]pyrrol-2-one
CID 58474371
1-(5-Methyl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-4-yl)ethanone
CID 58850021
(3aR,4S,6aR)-5-methyl-2-oxo-3a,4,6,6a-tetrahydro-3H-furo[2,3-c]pyrrole-4-carbaldehyde
CID 59951925
methyl 2,2,5-trimethyl-3a,4,6,6a-tetrahydro-3H-furo[2,3-c]pyrrole-4-carboxylate
CID 71142758
1-propan-2-yl-3,3a,4,6a-tetrahydro-2H-furo[3,4-b]pyrrol-6-one
CID 167396196
methyl 7-hydroxy-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1-carboxylate
CID 276226

Frequently Asked Questions

What is the IUPAC name of (3aR,4R,6aR)-4-ethyl-5-methyl-3a,4,6,6a-tetrahydro-3H-furo[2,3-c]pyrrol-2-one?
The IUPAC name of (3aR,4R,6aR)-4-ethyl-5-methyl-3a,4,6,6a-tetrahydro-3H-furo[2,3-c]pyrrol-2-one (CID 59951938) is (3aR,4R,6aR)-4-ethyl-5-methyl-3a,4,6,6a-tetrahydro-3H-furo[2,3-c]pyrrol-2-one.
What is the SMILES notation for (3aR,4R,6aR)-4-ethyl-5-methyl-3a,4,6,6a-tetrahydro-3H-furo[2,3-c]pyrrol-2-one?
The canonical SMILES for (3aR,4R,6aR)-4-ethyl-5-methyl-3a,4,6,6a-tetrahydro-3H-furo[2,3-c]pyrrol-2-one is CC[C@@H]1[C@H]2CC(=O)O[C@H]2CN1C.
What is the InChIKey of (3aR,4R,6aR)-4-ethyl-5-methyl-3a,4,6,6a-tetrahydro-3H-furo[2,3-c]pyrrol-2-one?
The InChIKey is BSMFSYIYIOSELN-PRJMDXOYSA-N. The full InChI is InChI=1S/C9H15NO2/c1-3-7-6-4-9(11)12-8(6)5-10(7)2/h6-8H,3-5H2,1-2H3/t6-,7-,8+/m1/s1.
What are the key properties of (3aR,4R,6aR)-4-ethyl-5-methyl-3a,4,6,6a-tetrahydro-3H-furo[2,3-c]pyrrol-2-one?
(3aR,4R,6aR)-4-ethyl-5-methyl-3a,4,6,6a-tetrahydro-3H-furo[2,3-c]pyrrol-2-one has a molecular weight of 169.22 g/mol, XLogP of 0.64, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,4R,6aR)-4-ethyl-5-methyl-3a,4,6,6a-tetrahydro-3H-furo[2,3-c]pyrrol-2-one is sourced from PubChem (CID 59951938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).