(3',7'-dimethyl-5-oxospiro[furan-2,6'-pentacyclo[8.8.0.02,7.03,5.011,16]octadec-15-ene]-14'-ylidene)azanium

C23H30NO2+ — CID 143827729

IUPAC(3',7'-dimethyl-5-oxospiro[furan-2,6'-pentacyclo[8.8.0.02,7.03,5.011,16]octadec-15-ene]-14'-ylidene)azanium
SMILESCC12CC1C1(C=CC(=O)O1)C1(C)CCC3C4CCC(=[NH2+])C=C4CCC3C21
InChIInChI=1S/C23H29NO2/c1-21-12-18(21)23(10-8-19(25)26-23)22(2)9-7-16-15-6-4-14(24)11-13(15)3-5-17(16)20(21)22/h8,10-11,15-18,20,24H,3-7,9,12H2,1-2H3/p+1
InChIKeyMGAZVINYCVEPCF-UHFFFAOYSA-O
MW352.50 g/mol
LogP2.86
Rot. Bonds

About (3',7'-dimethyl-5-oxospiro[furan-2,6'-pentacyclo[8.8.0.02,7.03,5.011,16]octadec-15-ene]-14'-ylidene)azanium

(3',7'-dimethyl-5-oxospiro[furan-2,6'-pentacyclo[8.8.0.02,7.03,5.011,16]octadec-15-ene]-14'-ylidene)azanium (PubChem CID 143827729) has the molecular formula C23H30NO2+ and a molecular weight of 352.50 g/mol. Its IUPAC name is (3',7'-dimethyl-5-oxospiro[furan-2,6'-pentacyclo[8.8.0.02,7.03,5.011,16]octadec-15-ene]-14'-ylidene)azanium.

Molecular Properties

Compound Name(3',7'-dimethyl-5-oxospiro[furan-2,6'-pentacyclo[8.8.0.02,7.03,5.011,16]octadec-15-ene]-14'-ylidene)azanium
PubChem CID143827729
Molecular FormulaC23H30NO2+
Molecular Weight352.50 g/mol
Exact Mass352.23
IUPAC Name(3',7'-dimethyl-5-oxospiro[furan-2,6'-pentacyclo[8.8.0.02,7.03,5.011,16]octadec-15-ene]-14'-ylidene)azanium
SMILESCC12CC1C1(C=CC(=O)O1)C1(C)CCC3C4CCC(=[NH2+])C=C4CCC3C21
InChIInChI=1S/C23H29NO2/c1-21-12-18(21)23(10-8-19(25)26-23)22(2)9-7-16-15-6-4-14(24)11-13(15)3-5-17(16)20(21)22/h8,10-11,15-18,20,24H,3-7,9,12H2,1-2H3/p+1
InChIKeyMGAZVINYCVEPCF-UHFFFAOYSA-O
XLogP2.86
TPSA51.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.50
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

(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
CID 123179023
CID 123179023
(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
CID 58109792
CID 58109792
13,17-dimethyl-3-oxo-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-17-carbonitrile
CID 91511647
CID 58115322
CID 58115322
(1'R,2'R,3'S,5S,5'S,7'S,10'S,11'R,17'R)-17'-(hydroxymethyl)-7'-methylspiro[furan-5,6'-pentacyclo[8.8.0.02,7.03,5.011,16]octadec-15-ene]-2,14'-dione
CID 58109805
(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,17'R)-17'-(hydroxymethyl)-14'-imino-7'-methylspiro[furan-5,6'-pentacyclo[8.8.0.02,7.03,5.011,16]octadec-15-ene]-2-one
CID 143827754

Frequently Asked Questions

What is the IUPAC name of (3',7'-dimethyl-5-oxospiro[furan-2,6'-pentacyclo[8.8.0.02,7.03,5.011,16]octadec-15-ene]-14'-ylidene)azanium?
The IUPAC name of (3',7'-dimethyl-5-oxospiro[furan-2,6'-pentacyclo[8.8.0.02,7.03,5.011,16]octadec-15-ene]-14'-ylidene)azanium (CID 143827729) is (3',7'-dimethyl-5-oxospiro[furan-2,6'-pentacyclo[8.8.0.02,7.03,5.011,16]octadec-15-ene]-14'-ylidene)azanium.
What is the SMILES notation for (3',7'-dimethyl-5-oxospiro[furan-2,6'-pentacyclo[8.8.0.02,7.03,5.011,16]octadec-15-ene]-14'-ylidene)azanium?
The canonical SMILES for (3',7'-dimethyl-5-oxospiro[furan-2,6'-pentacyclo[8.8.0.02,7.03,5.011,16]octadec-15-ene]-14'-ylidene)azanium is CC12CC1C1(C=CC(=O)O1)C1(C)CCC3C4CCC(=[NH2+])C=C4CCC3C21.
What is the InChIKey of (3',7'-dimethyl-5-oxospiro[furan-2,6'-pentacyclo[8.8.0.02,7.03,5.011,16]octadec-15-ene]-14'-ylidene)azanium?
The InChIKey is MGAZVINYCVEPCF-UHFFFAOYSA-O. The full InChI is InChI=1S/C23H29NO2/c1-21-12-18(21)23(10-8-19(25)26-23)22(2)9-7-16-15-6-4-14(24)11-13(15)3-5-17(16)20(21)22/h8,10-11,15-18,20,24H,3-7,9,12H2,1-2H3/p+1.
What are the key properties of (3',7'-dimethyl-5-oxospiro[furan-2,6'-pentacyclo[8.8.0.02,7.03,5.011,16]octadec-15-ene]-14'-ylidene)azanium?
(3',7'-dimethyl-5-oxospiro[furan-2,6'-pentacyclo[8.8.0.02,7.03,5.011,16]octadec-15-ene]-14'-ylidene)azanium has a molecular weight of 352.50 g/mol, XLogP of 2.86, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3',7'-dimethyl-5-oxospiro[furan-2,6'-pentacyclo[8.8.0.02,7.03,5.011,16]octadec-15-ene]-14'-ylidene)azanium is sourced from PubChem (CID 143827729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).