(3aR,9aS,9bR)-3a,4,6,7,8,9,9a,9b-octahydro-3H-furo[2,3-a]indolizin-2-one

C10H15NO2 — CID 11991672

IUPAC(3aR,9aS,9bR)-3a,4,6,7,8,9,9a,9b-octahydro-3H-furo[2,3-a]indolizin-2-one
SMILESO=C1C[C@@H]2CN3CCCC[C@H]3[C@@H]2O1
InChIInChI=1S/C10H15NO2/c12-9-5-7-6-11-4-2-1-3-8(11)10(7)13-9/h7-8,10H,1-6H2/t7-,8+,10-/m1/s1
InChIKeyYUGRPABKYIVMFQ-KHQFGBGNSA-N
MW181.23 g/mol
LogP0.79
Rot. Bonds

About (3aR,9aS,9bR)-3a,4,6,7,8,9,9a,9b-octahydro-3H-furo[2,3-a]indolizin-2-one

(3aR,9aS,9bR)-3a,4,6,7,8,9,9a,9b-octahydro-3H-furo[2,3-a]indolizin-2-one (PubChem CID 11991672) has the molecular formula C10H15NO2 and a molecular weight of 181.23 g/mol. Its IUPAC name is (3aR,9aS,9bR)-3a,4,6,7,8,9,9a,9b-octahydro-3H-furo[2,3-a]indolizin-2-one.

Molecular Properties

Compound Name(3aR,9aS,9bR)-3a,4,6,7,8,9,9a,9b-octahydro-3H-furo[2,3-a]indolizin-2-one
PubChem CID11991672
Molecular FormulaC10H15NO2
Molecular Weight181.23 g/mol
Exact Mass181.11
IUPAC Name(3aR,9aS,9bR)-3a,4,6,7,8,9,9a,9b-octahydro-3H-furo[2,3-a]indolizin-2-one
SMILESO=C1C[C@@H]2CN3CCCC[C@H]3[C@@H]2O1
InChIInChI=1S/C10H15NO2/c12-9-5-7-6-11-4-2-1-3-8(11)10(7)13-9/h7-8,10H,1-6H2/t7-,8+,10-/m1/s1
InChIKeyYUGRPABKYIVMFQ-KHQFGBGNSA-N
XLogP0.79
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 50.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (3aR,9aS,9bR)-3a,4,6,7,8,9,9a,9b-octahydro-3H-furo[2,3-a]indolizin-2-one with MolForge

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Related Compounds

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CID 70849437
2-Ethyl-1,7-dimethyl-2,3,3a,4,7,7a-hexahydropyrano[3,4-b]pyrrol-5-one
CID 89025387
(4R,7S,11R)-5-oxa-1-azatricyclo[5.3.1.04,11]undecan-6-one
CID 10975859
(4R,7R,11S)-7-chloro-6-oxa-1-azatricyclo[5.3.1.04,11]undecan-5-one
CID 11831464
(3aR,8aR,8bR)-3,3a,4,6,7,8,8a,8b-octahydrofuro[2,3-a]pyrrolizin-2-one
CID 11991494
(3aR,9aR,9bR)-3a,4,6,7,8,9,9a,9b-octahydro-3H-furo[2,3-a]indolizin-2-one
CID 11991495
(1R,2R,6R)-3-oxa-8-azatricyclo[6.5.0.02,6]tridecan-4-one
CID 11991496
(3aR,4S,9aR,9bR)-4-ethyl-3a,4,5,7,8,9,9a,9b-octahydro-3H-furo[3,2-g]indolizin-2-one
CID 101738625
methyl (2S,4R,7S,11S)-5-oxo-6-oxa-1-azatricyclo[5.3.1.04,11]undecane-2-carboxylate
CID 101841035
spiro[3,5,6,7,8,8a-hexahydro-2H-indolizine-1,5'-oxolane]-2'-one
CID 103439805
(4S,7R,11R)-6-oxa-1-azatricyclo[5.3.1.04,11]undecan-5-one
CID 131858810

Frequently Asked Questions

What is the IUPAC name of (3aR,9aS,9bR)-3a,4,6,7,8,9,9a,9b-octahydro-3H-furo[2,3-a]indolizin-2-one?
The IUPAC name of (3aR,9aS,9bR)-3a,4,6,7,8,9,9a,9b-octahydro-3H-furo[2,3-a]indolizin-2-one (CID 11991672) is (3aR,9aS,9bR)-3a,4,6,7,8,9,9a,9b-octahydro-3H-furo[2,3-a]indolizin-2-one.
What is the SMILES notation for (3aR,9aS,9bR)-3a,4,6,7,8,9,9a,9b-octahydro-3H-furo[2,3-a]indolizin-2-one?
The canonical SMILES for (3aR,9aS,9bR)-3a,4,6,7,8,9,9a,9b-octahydro-3H-furo[2,3-a]indolizin-2-one is O=C1C[C@@H]2CN3CCCC[C@H]3[C@@H]2O1.
What is the InChIKey of (3aR,9aS,9bR)-3a,4,6,7,8,9,9a,9b-octahydro-3H-furo[2,3-a]indolizin-2-one?
The InChIKey is YUGRPABKYIVMFQ-KHQFGBGNSA-N. The full InChI is InChI=1S/C10H15NO2/c12-9-5-7-6-11-4-2-1-3-8(11)10(7)13-9/h7-8,10H,1-6H2/t7-,8+,10-/m1/s1.
What are the key properties of (3aR,9aS,9bR)-3a,4,6,7,8,9,9a,9b-octahydro-3H-furo[2,3-a]indolizin-2-one?
(3aR,9aS,9bR)-3a,4,6,7,8,9,9a,9b-octahydro-3H-furo[2,3-a]indolizin-2-one has a molecular weight of 181.23 g/mol, XLogP of 0.79, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,9aS,9bR)-3a,4,6,7,8,9,9a,9b-octahydro-3H-furo[2,3-a]indolizin-2-one is sourced from PubChem (CID 11991672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).