(5S,10'R,14'S)-14'-methyl-7'-nitrosospiro[2H-furan-5,15'-hexacyclo[9.8.0.02,4.05,10.014,19.016,18]nonadec-5-ene]

C23H29NO2 — CID 123294097

IUPAC(5S,10'R,14'S)-14'-methyl-7'-nitrosospiro[2H-furan-5,15'-hexacyclo[9.8.0.02,4.05,10.014,19.016,18]nonadec-5-ene]
SMILESC[C@]12CCC3C(C4CC4C4=CC(N=O)CC[C@@H]43)C1C1CC1[C@@]21C=CCO1
InChIInChI=1S/C23H29NO2/c1-22-7-5-14-13-4-3-12(24-25)9-15(13)16-10-17(16)20(14)21(22)18-11-19(18)23(22)6-2-8-26-23/h2,6,9,12-14,16-21H,3-5,7-8,10-11H2,1H3/t12?,13-,14?,16?,17?,18?,19?,20?,21?,22+,23+/m1/s1
InChIKeyMFDWXTVEHWCNEQ-AKLRMHTDSA-N
MW351.49 g/mol
LogP4.73
Rot. Bonds1

About (5S,10'R,14'S)-14'-methyl-7'-nitrosospiro[2H-furan-5,15'-hexacyclo[9.8.0.02,4.05,10.014,19.016,18]nonadec-5-ene]

(5S,10'R,14'S)-14'-methyl-7'-nitrosospiro[2H-furan-5,15'-hexacyclo[9.8.0.02,4.05,10.014,19.016,18]nonadec-5-ene] (PubChem CID 123294097) has the molecular formula C23H29NO2 and a molecular weight of 351.49 g/mol. Its IUPAC name is (5S,10'R,14'S)-14'-methyl-7'-nitrosospiro[2H-furan-5,15'-hexacyclo[9.8.0.02,4.05,10.014,19.016,18]nonadec-5-ene].

Molecular Properties

Compound Name(5S,10'R,14'S)-14'-methyl-7'-nitrosospiro[2H-furan-5,15'-hexacyclo[9.8.0.02,4.05,10.014,19.016,18]nonadec-5-ene]
PubChem CID123294097
Molecular FormulaC23H29NO2
Molecular Weight351.49 g/mol
Exact Mass351.22
IUPAC Name(5S,10'R,14'S)-14'-methyl-7'-nitrosospiro[2H-furan-5,15'-hexacyclo[9.8.0.02,4.05,10.014,19.016,18]nonadec-5-ene]
SMILESC[C@]12CCC3C(C4CC4C4=CC(N=O)CC[C@@H]43)C1C1CC1[C@@]21C=CCO1
InChIInChI=1S/C23H29NO2/c1-22-7-5-14-13-4-3-12(24-25)9-15(13)16-10-17(16)20(14)21(22)18-11-19(18)23(22)6-2-8-26-23/h2,6,9,12-14,16-21H,3-5,7-8,10-11H2,1H3/t12?,13-,14?,16?,17?,18?,19?,20?,21?,22+,23+/m1/s1
InChIKeyMFDWXTVEHWCNEQ-AKLRMHTDSA-N
XLogP4.73
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.49
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (5S,10'R,14'S)-14'-methyl-7'-nitrosospiro[2H-furan-5,15'-hexacyclo[9.8.0.02,4.05,10.014,19.016,18]nonadec-5-ene] with MolForge

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Related Compounds

(1'R,2'S,3'R,5S,5'R,7'S,10'S,11'R,18'S)-18'-ethyl-7'-methylspiro[2H-furan-5,6'-pentacyclo[8.8.0.02,7.03,5.011,16]octadec-15-ene]-14'-one
CID 58092584
(7'S)-18'-ethyl-7'-methylspiro[2H-furan-5,6'-pentacyclo[8.8.0.02,7.03,5.011,16]octadec-15-ene]-14'-one
CID 143827799
(1'R,2'S,3'R,5S,5'R,7'S,10'S,11'R,18'S)-18'-ethyl-7'-methylspiro[2H-furan-5,6'-pentacyclo[8.8.0.02,7.03,5.011,16]octadec-15-ene]-14'-one;(1'R,2'S,3'R,5S,5'R,7'S,10'S,11'R,18'R)-18'-ethyl-7'-methylspiro[2H-furan-5,6'-pentacyclo[8.8.0.02,7.03,5.011,16]octadec-15-ene]-14'-one;methane
CID 159805768
(1'R,2'R,3'S,5S,5'S,7'S,10'S,11'R)-7'-methylspiro[2H-furan-5,6'-pentacyclo[8.8.0.02,7.03,5.011,16]octadec-15-ene]-14'-one
CID 58092603
(5S,7'E,10'R,14'S)-7'-hydroxyimino-14'-methylspiro[furan-5,15'-hexacyclo[9.8.0.02,4.05,10.014,19.016,18]nonadec-5-ene]-2-one
CID 58109787
(5S,7'S,11'R)-7'-methyl-17'-methylidenespiro[2H-furan-5,6'-pentacyclo[8.8.0.02,7.03,5.011,16]octadec-15-ene]-14'-one
CID 58092626
(10'R,14'S)-14'-methylspiro[2H-furan-5,15'-pentacyclo[9.7.0.02,4.05,10.014,18]octadec-5-ene]-7'-one
CID 143827673
(5S,7'S)-7'-methyl-17'-methylidenespiro[2H-furan-5,6'-pentacyclo[8.8.0.02,7.03,5.011,16]octadec-11(16)-ene]-14'-one
CID 123588100
(1'R,2'S,3'S,5S,5'S,7'S,10'S,11'R,18'S)-18'-cyclopropyl-7'-ethylspiro[2H-furan-5,6'-pentacyclo[8.8.0.02,7.03,5.011,16]octadec-15-ene]-14'-one
CID 58092637
(7E,15S)-7-hydroxyimino-14-methylspiro[hexacyclo[9.8.0.02,4.05,10.014,19.016,18]nonadec-5-ene-15,5'-oxolane]-2'-one
CID 89172706
(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
(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

Frequently Asked Questions

What is the IUPAC name of (5S,10'R,14'S)-14'-methyl-7'-nitrosospiro[2H-furan-5,15'-hexacyclo[9.8.0.02,4.05,10.014,19.016,18]nonadec-5-ene]?
The IUPAC name of (5S,10'R,14'S)-14'-methyl-7'-nitrosospiro[2H-furan-5,15'-hexacyclo[9.8.0.02,4.05,10.014,19.016,18]nonadec-5-ene] (CID 123294097) is (5S,10'R,14'S)-14'-methyl-7'-nitrosospiro[2H-furan-5,15'-hexacyclo[9.8.0.02,4.05,10.014,19.016,18]nonadec-5-ene].
What is the SMILES notation for (5S,10'R,14'S)-14'-methyl-7'-nitrosospiro[2H-furan-5,15'-hexacyclo[9.8.0.02,4.05,10.014,19.016,18]nonadec-5-ene]?
The canonical SMILES for (5S,10'R,14'S)-14'-methyl-7'-nitrosospiro[2H-furan-5,15'-hexacyclo[9.8.0.02,4.05,10.014,19.016,18]nonadec-5-ene] is C[C@]12CCC3C(C4CC4C4=CC(N=O)CC[C@@H]43)C1C1CC1[C@@]21C=CCO1.
What is the InChIKey of (5S,10'R,14'S)-14'-methyl-7'-nitrosospiro[2H-furan-5,15'-hexacyclo[9.8.0.02,4.05,10.014,19.016,18]nonadec-5-ene]?
The InChIKey is MFDWXTVEHWCNEQ-AKLRMHTDSA-N. The full InChI is InChI=1S/C23H29NO2/c1-22-7-5-14-13-4-3-12(24-25)9-15(13)16-10-17(16)20(14)21(22)18-11-19(18)23(22)6-2-8-26-23/h2,6,9,12-14,16-21H,3-5,7-8,10-11H2,1H3/t12?,13-,14?,16?,17?,18?,19?,20?,21?,22+,23+/m1/s1.
What are the key properties of (5S,10'R,14'S)-14'-methyl-7'-nitrosospiro[2H-furan-5,15'-hexacyclo[9.8.0.02,4.05,10.014,19.016,18]nonadec-5-ene]?
(5S,10'R,14'S)-14'-methyl-7'-nitrosospiro[2H-furan-5,15'-hexacyclo[9.8.0.02,4.05,10.014,19.016,18]nonadec-5-ene] has a molecular weight of 351.49 g/mol, XLogP of 4.73, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,10'R,14'S)-14'-methyl-7'-nitrosospiro[2H-furan-5,15'-hexacyclo[9.8.0.02,4.05,10.014,19.016,18]nonadec-5-ene] is sourced from PubChem (CID 123294097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).