(8S,8aR)-8a-methylspiro[2,5,6,7-tetrahydro-1H-indolizine-8,5'-furan]-2',3-dione

C12H15NO3 — CID 102090862

IUPAC(8S,8aR)-8a-methylspiro[2,5,6,7-tetrahydro-1H-indolizine-8,5'-furan]-2',3-dione
SMILESC[C@]12CCC(=O)N1CCC[C@]21C=CC(=O)O1
InChIInChI=1S/C12H15NO3/c1-11-6-3-9(14)13(11)8-2-5-12(11)7-4-10(15)16-12/h4,7H,2-3,5-6,8H2,1H3/t11-,12+/m1/s1
InChIKeyUIHWFBROBQVRAI-NEPJUHHUSA-N
MW221.26 g/mol
LogP1.01
Rot. Bonds

About (8S,8aR)-8a-methylspiro[2,5,6,7-tetrahydro-1H-indolizine-8,5'-furan]-2',3-dione

(8S,8aR)-8a-methylspiro[2,5,6,7-tetrahydro-1H-indolizine-8,5'-furan]-2',3-dione (PubChem CID 102090862) has the molecular formula C12H15NO3 and a molecular weight of 221.26 g/mol. Its IUPAC name is (8S,8aR)-8a-methylspiro[2,5,6,7-tetrahydro-1H-indolizine-8,5'-furan]-2',3-dione.

Molecular Properties

Compound Name(8S,8aR)-8a-methylspiro[2,5,6,7-tetrahydro-1H-indolizine-8,5'-furan]-2',3-dione
PubChem CID102090862
Molecular FormulaC12H15NO3
Molecular Weight221.26 g/mol
Exact Mass221.11
IUPAC Name(8S,8aR)-8a-methylspiro[2,5,6,7-tetrahydro-1H-indolizine-8,5'-furan]-2',3-dione
SMILESC[C@]12CCC(=O)N1CCC[C@]21C=CC(=O)O1
InChIInChI=1S/C12H15NO3/c1-11-6-3-9(14)13(11)8-2-5-12(11)7-4-10(15)16-12/h4,7H,2-3,5-6,8H2,1H3/t11-,12+/m1/s1
InChIKeyUIHWFBROBQVRAI-NEPJUHHUSA-N
XLogP1.01
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (8S,8aR)-8a-methylspiro[2,5,6,7-tetrahydro-1H-indolizine-8,5'-furan]-2',3-dione with MolForge

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Related Compounds

(5S,6S)-4,7-dioxadispiro[4.0.46.25]dodeca-1,9-diene-3,8-dione
CID 46173847
(8S)-8-methoxy-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one
CID 134715011
(8aS)-8a-methyl-1,2,3,4,7,8-hexahydropyrrolo[1,2-a]pyrimidin-6-one
CID 7247996
(8S,8aS)-8a-hydroxy-8-methyl-1,2,5,6,7,8-hexahydroindolizin-3-one
CID 101002230
7a-methyl-1,3,6,7-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-one
CID 163870377
8a-methyl-5,6,7,8-tetrahydroindolizin-1-one
CID 13047972
(8aS)-8a-methyl-1-methylidenespiro[2,6,7,8-tetrahydropyrrolo[1,2-a]pyrazine-3,1'-cyclopentane]-4-one
CID 70671242
2-chloro-6a-methyl-5,7,8,9-tetrahydropyrrolo[2,1-h]pteridin-6-one
CID 123520942
(7aR)-7a-methyl-2,3,6,7-tetrahydro-1H-pyrrolo[1,2-a]imidazol-1-ium-5-one
CID 6966193
7a-methyl-2,3,6,7-tetrahydro-1H-pyrrolo[1,2-a]imidazol-5-one
CID 3159946
(1R,10S,11R,12S)-12-hydroxy-11-methyl-5-azatricyclo[8.4.0.01,5]tetradecan-6-one
CID 70679860
S-(10,13-dimethyl-3,5'-dioxospiro[2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-17,2'-furan]-7-yl) ethanethioate
CID 14748916

Frequently Asked Questions

What is the IUPAC name of (8S,8aR)-8a-methylspiro[2,5,6,7-tetrahydro-1H-indolizine-8,5'-furan]-2',3-dione?
The IUPAC name of (8S,8aR)-8a-methylspiro[2,5,6,7-tetrahydro-1H-indolizine-8,5'-furan]-2',3-dione (CID 102090862) is (8S,8aR)-8a-methylspiro[2,5,6,7-tetrahydro-1H-indolizine-8,5'-furan]-2',3-dione.
What is the SMILES notation for (8S,8aR)-8a-methylspiro[2,5,6,7-tetrahydro-1H-indolizine-8,5'-furan]-2',3-dione?
The canonical SMILES for (8S,8aR)-8a-methylspiro[2,5,6,7-tetrahydro-1H-indolizine-8,5'-furan]-2',3-dione is C[C@]12CCC(=O)N1CCC[C@]21C=CC(=O)O1.
What is the InChIKey of (8S,8aR)-8a-methylspiro[2,5,6,7-tetrahydro-1H-indolizine-8,5'-furan]-2',3-dione?
The InChIKey is UIHWFBROBQVRAI-NEPJUHHUSA-N. The full InChI is InChI=1S/C12H15NO3/c1-11-6-3-9(14)13(11)8-2-5-12(11)7-4-10(15)16-12/h4,7H,2-3,5-6,8H2,1H3/t11-,12+/m1/s1.
What are the key properties of (8S,8aR)-8a-methylspiro[2,5,6,7-tetrahydro-1H-indolizine-8,5'-furan]-2',3-dione?
(8S,8aR)-8a-methylspiro[2,5,6,7-tetrahydro-1H-indolizine-8,5'-furan]-2',3-dione has a molecular weight of 221.26 g/mol, XLogP of 1.01, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (8S,8aR)-8a-methylspiro[2,5,6,7-tetrahydro-1H-indolizine-8,5'-furan]-2',3-dione is sourced from PubChem (CID 102090862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).