(3aR,4aS,9aS)-3,3a,4,4a,5,6,9,9a-octahydro-2H-furo[2,3-f]indolizin-7-one

C10H15NO2 — CID 11367373

IUPAC(3aR,4aS,9aS)-3,3a,4,4a,5,6,9,9a-octahydro-2H-furo[2,3-f]indolizin-7-one
SMILESO=C1CC[C@H]2C[C@@H]3CCO[C@@H]3CN12
InChIInChI=1S/C10H15NO2/c12-10-2-1-8-5-7-3-4-13-9(7)6-11(8)10/h7-9H,1-6H2/t7-,8-,9+/m0/s1
InChIKeyQVBPQWNVMREHJO-XHNCKOQMSA-N
MW181.23 g/mol
LogP0.79
Rot. Bonds

About (3aR,4aS,9aS)-3,3a,4,4a,5,6,9,9a-octahydro-2H-furo[2,3-f]indolizin-7-one

(3aR,4aS,9aS)-3,3a,4,4a,5,6,9,9a-octahydro-2H-furo[2,3-f]indolizin-7-one (PubChem CID 11367373) has the molecular formula C10H15NO2 and a molecular weight of 181.23 g/mol. Its IUPAC name is (3aR,4aS,9aS)-3,3a,4,4a,5,6,9,9a-octahydro-2H-furo[2,3-f]indolizin-7-one.

Molecular Properties

Compound Name(3aR,4aS,9aS)-3,3a,4,4a,5,6,9,9a-octahydro-2H-furo[2,3-f]indolizin-7-one
PubChem CID11367373
Molecular FormulaC10H15NO2
Molecular Weight181.23 g/mol
Exact Mass181.11
IUPAC Name(3aR,4aS,9aS)-3,3a,4,4a,5,6,9,9a-octahydro-2H-furo[2,3-f]indolizin-7-one
SMILESO=C1CC[C@H]2C[C@@H]3CCO[C@@H]3CN12
InChIInChI=1S/C10H15NO2/c12-10-2-1-8-5-7-3-4-13-9(7)6-11(8)10/h7-9H,1-6H2/t7-,8-,9+/m0/s1
InChIKeyQVBPQWNVMREHJO-XHNCKOQMSA-N
XLogP0.79
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
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 ≤ 102

Analyze (3aR,4aS,9aS)-3,3a,4,4a,5,6,9,9a-octahydro-2H-furo[2,3-f]indolizin-7-one with MolForge

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Related Compounds

(3aS,4S,9aS,9bR)-4-ethyl-2,2-dimethyl-4,5,8,9,9a,9b-hexahydro-3aH-[1,3]dioxolo[4,5-g]indolizin-7-one
CID 71469869
(3aR,4R,4aS,9aR)-4-Hydroxyperhydrofuro[2,3-f]indolizin-7(2H)-one
CID 101842437
(1R,3R,8R,8aS)-1,3-diethyl-8-methoxy-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one
CID 134853765
(3aS,4aS,9aS)-3,3a,4,4a,5,6,9,9a-octahydro-2H-furo[2,3-f]indolizin-7-one
CID 12127499
6-Methyl-7-propan-2-yl-2,3,3a,4,7,7a-hexahydrofuro[2,3-c]pyridin-5-one
CID 167428124
7-Ethyl-6-methyl-2,3,3a,4,7,7a-hexahydrofuro[2,3-c]pyridin-5-one
CID 170110313
(3aR,4S,4aS,9aR)-4-hydroxy-3,3a,4,4a,5,6,9,9a-octahydro-2H-furo[2,3-f]indolizin-7-one
CID 24879841
4-hydroxy-3,3a,4,4a,5,6,9,9a-octahydro-2H-furo[2,3-f]indolizin-7-one
CID 74343013
(3aS,4R,4aS,9aS)-4-hydroxy-3,3a,4,4a,5,6,9,9a-octahydro-2H-furo[2,3-f]indolizin-7-one
CID 101842438
(3aS,4S,4aS,9aS)-4-hydroxy-3,3a,4,4a,5,6,9,9a-octahydro-2H-furo[2,3-f]indolizin-7-one
CID 130763795

Frequently Asked Questions

What is the IUPAC name of (3aR,4aS,9aS)-3,3a,4,4a,5,6,9,9a-octahydro-2H-furo[2,3-f]indolizin-7-one?
The IUPAC name of (3aR,4aS,9aS)-3,3a,4,4a,5,6,9,9a-octahydro-2H-furo[2,3-f]indolizin-7-one (CID 11367373) is (3aR,4aS,9aS)-3,3a,4,4a,5,6,9,9a-octahydro-2H-furo[2,3-f]indolizin-7-one.
What is the SMILES notation for (3aR,4aS,9aS)-3,3a,4,4a,5,6,9,9a-octahydro-2H-furo[2,3-f]indolizin-7-one?
The canonical SMILES for (3aR,4aS,9aS)-3,3a,4,4a,5,6,9,9a-octahydro-2H-furo[2,3-f]indolizin-7-one is O=C1CC[C@H]2C[C@@H]3CCO[C@@H]3CN12.
What is the InChIKey of (3aR,4aS,9aS)-3,3a,4,4a,5,6,9,9a-octahydro-2H-furo[2,3-f]indolizin-7-one?
The InChIKey is QVBPQWNVMREHJO-XHNCKOQMSA-N. The full InChI is InChI=1S/C10H15NO2/c12-10-2-1-8-5-7-3-4-13-9(7)6-11(8)10/h7-9H,1-6H2/t7-,8-,9+/m0/s1.
What are the key properties of (3aR,4aS,9aS)-3,3a,4,4a,5,6,9,9a-octahydro-2H-furo[2,3-f]indolizin-7-one?
(3aR,4aS,9aS)-3,3a,4,4a,5,6,9,9a-octahydro-2H-furo[2,3-f]indolizin-7-one has a molecular weight of 181.23 g/mol, XLogP of 0.79, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,4aS,9aS)-3,3a,4,4a,5,6,9,9a-octahydro-2H-furo[2,3-f]indolizin-7-one is sourced from PubChem (CID 11367373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).