(5S,7'S)-7'-ethyl-14'-nitrosospiro[furan-5,6'-pentacyclo[8.8.0.02,7.03,5.011,16]octadec-11(16)-ene]-2-one

C23H29NO3 — CID 123950990

IUPAC(5S,7'S)-7'-ethyl-14'-nitrosospiro[furan-5,6'-pentacyclo[8.8.0.02,7.03,5.011,16]octadec-11(16)-ene]-2-one
SMILESCC[C@]12CCC3C4=C(CCC3C1C1CC1[C@@]21C=CC(=O)O1)CC(N=O)CC4
InChIInChI=1S/C23H29NO3/c1-2-22-9-7-16-15-6-4-14(24-26)11-13(15)3-5-17(16)21(22)18-12-19(18)23(22)10-8-20(25)27-23/h8,10,14,16-19,21H,2-7,9,11-12H2,1H3/t14?,16?,17?,18?,19?,21?,22-,23-/m0/s1
InChIKeyDXXKIKMEYTWZDI-YZKARSBBSA-N
MW367.49 g/mol
LogP4.94
Rot. Bonds2

About (5S,7'S)-7'-ethyl-14'-nitrosospiro[furan-5,6'-pentacyclo[8.8.0.02,7.03,5.011,16]octadec-11(16)-ene]-2-one

(5S,7'S)-7'-ethyl-14'-nitrosospiro[furan-5,6'-pentacyclo[8.8.0.02,7.03,5.011,16]octadec-11(16)-ene]-2-one (PubChem CID 123950990) has the molecular formula C23H29NO3 and a molecular weight of 367.49 g/mol. Its IUPAC name is (5S,7'S)-7'-ethyl-14'-nitrosospiro[furan-5,6'-pentacyclo[8.8.0.02,7.03,5.011,16]octadec-11(16)-ene]-2-one.

Molecular Properties

Compound Name(5S,7'S)-7'-ethyl-14'-nitrosospiro[furan-5,6'-pentacyclo[8.8.0.02,7.03,5.011,16]octadec-11(16)-ene]-2-one
PubChem CID123950990
Molecular FormulaC23H29NO3
Molecular Weight367.49 g/mol
Exact Mass367.21
IUPAC Name(5S,7'S)-7'-ethyl-14'-nitrosospiro[furan-5,6'-pentacyclo[8.8.0.02,7.03,5.011,16]octadec-11(16)-ene]-2-one
SMILESCC[C@]12CCC3C4=C(CCC3C1C1CC1[C@@]21C=CC(=O)O1)CC(N=O)CC4
InChIInChI=1S/C23H29NO3/c1-2-22-9-7-16-15-6-4-14(24-26)11-13(15)3-5-17(16)21(22)18-12-19(18)23(22)10-8-20(25)27-23/h8,10,14,16-19,21H,2-7,9,11-12H2,1H3/t14?,16?,17?,18?,19?,21?,22-,23-/m0/s1
InChIKeyDXXKIKMEYTWZDI-YZKARSBBSA-N
XLogP4.94
TPSA55.73 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (5S,7'S)-7'-ethyl-14'-nitrosospiro[furan-5,6'-pentacyclo[8.8.0.02,7.03,5.011,16]octadec-11(16)-ene]-2-one with MolForge

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Related Compounds

(5S,7'S)-18'-cyclopropyl-7'-ethyl-14'-nitrosospiro[2H-furan-5,6'-pentacyclo[8.8.0.02,7.03,5.011,16]octadec-11(16)-ene]
CID 123645527
(1'R,2'S,3'S,5S,5'S,7'S,10'S,18'R)-7',18'-dimethylspiro[furan-5,6'-pentacyclo[8.8.0.02,7.03,5.011,16]octadec-11(16)-ene]-2,14'-dione
CID 123936279
CID 123980503
CID 123980503
(5S,7'S)-7'-methyl-17'-methylidenespiro[furan-5,6'-pentacyclo[8.8.0.02,7.03,5.011,16]octadec-11(16)-ene]-2,14'-dione
CID 123450274
(1'R,2'R,3'R,5S,5'R,7'S,10'S,11'R)-7'-methylspiro[furan-5,6'-pentacyclo[8.8.0.02,7.03,5.011,16]octadec-15-ene]-2,14'-dione
CID 42642633
(5S,7'S,11'R,14'E)-14'-hydroxyimino-7'-methylspiro[furan-5,6'-pentacyclo[8.8.0.02,7.03,5.011,16]octadec-15-ene]-2-one
CID 58109791
(13S,17R)-13-ethyl-3-nitrosospiro[2,3,4,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-17,5'-2H-furan]
CID 91017841
(2'R,5S,10'R,14'S,16'S,18'S)-10',14'-dimethylspiro[furan-5,15'-hexacyclo[9.8.0.02,4.05,10.014,19.016,18]nonadec-4-ene]-2,7'-dione
CID 123224827
(3'S,5S,5'S,7'S)-7'-ethylspiro[2H-furan-5,6'-pentacyclo[8.8.0.02,7.03,5.011,16]octadeca-11(16),17-diene]-14'-one
CID 123860026
(5S,7'S,11'R)-7',18'-dimethylspiro[furan-5,6'-pentacyclo[8.8.0.02,7.03,5.011,16]octadec-15-ene]-2,14'-dione
CID 58109813
(1'R,2'S,3'R,5S,5'R,7'S,10'S,11'R,18'R)-7',18'-dimethylspiro[furan-5,6'-pentacyclo[8.8.0.02,7.03,5.011,16]octadec-15-ene]-2,14'-dione
CID 58109811
(3'S,5S,5'S,7'S,11'R)-7'-ethyl-17'-(hydroxymethyl)spiro[2H-furan-5,6'-pentacyclo[8.8.0.02,7.03,5.011,16]octadec-16-ene]-14'-one
CID 123992556

Frequently Asked Questions

What is the IUPAC name of (5S,7'S)-7'-ethyl-14'-nitrosospiro[furan-5,6'-pentacyclo[8.8.0.02,7.03,5.011,16]octadec-11(16)-ene]-2-one?
The IUPAC name of (5S,7'S)-7'-ethyl-14'-nitrosospiro[furan-5,6'-pentacyclo[8.8.0.02,7.03,5.011,16]octadec-11(16)-ene]-2-one (CID 123950990) is (5S,7'S)-7'-ethyl-14'-nitrosospiro[furan-5,6'-pentacyclo[8.8.0.02,7.03,5.011,16]octadec-11(16)-ene]-2-one.
What is the SMILES notation for (5S,7'S)-7'-ethyl-14'-nitrosospiro[furan-5,6'-pentacyclo[8.8.0.02,7.03,5.011,16]octadec-11(16)-ene]-2-one?
The canonical SMILES for (5S,7'S)-7'-ethyl-14'-nitrosospiro[furan-5,6'-pentacyclo[8.8.0.02,7.03,5.011,16]octadec-11(16)-ene]-2-one is CC[C@]12CCC3C4=C(CCC3C1C1CC1[C@@]21C=CC(=O)O1)CC(N=O)CC4.
What is the InChIKey of (5S,7'S)-7'-ethyl-14'-nitrosospiro[furan-5,6'-pentacyclo[8.8.0.02,7.03,5.011,16]octadec-11(16)-ene]-2-one?
The InChIKey is DXXKIKMEYTWZDI-YZKARSBBSA-N. The full InChI is InChI=1S/C23H29NO3/c1-2-22-9-7-16-15-6-4-14(24-26)11-13(15)3-5-17(16)21(22)18-12-19(18)23(22)10-8-20(25)27-23/h8,10,14,16-19,21H,2-7,9,11-12H2,1H3/t14?,16?,17?,18?,19?,21?,22-,23-/m0/s1.
What are the key properties of (5S,7'S)-7'-ethyl-14'-nitrosospiro[furan-5,6'-pentacyclo[8.8.0.02,7.03,5.011,16]octadec-11(16)-ene]-2-one?
(5S,7'S)-7'-ethyl-14'-nitrosospiro[furan-5,6'-pentacyclo[8.8.0.02,7.03,5.011,16]octadec-11(16)-ene]-2-one has a molecular weight of 367.49 g/mol, XLogP of 4.94, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,7'S)-7'-ethyl-14'-nitrosospiro[furan-5,6'-pentacyclo[8.8.0.02,7.03,5.011,16]octadec-11(16)-ene]-2-one is sourced from PubChem (CID 123950990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).