3',7'-dimethyl-14'-pyrrolidin-1-ylspiro[oxolane-5,6'-pentacyclo[8.8.0.02,7.03,5.011,16]octadeca-14,16-diene]-2-one

C27H37NO2 — CID 143827954

IUPAC3',7'-dimethyl-14'-pyrrolidin-1-ylspiro[oxolane-5,6'-pentacyclo[8.8.0.02,7.03,5.011,16]octadeca-14,16-diene]-2-one
SMILESCC12CC1C1(CCC(=O)O1)C1(C)CCC3C4CCC(N5CCCC5)=CC4=CCC3C21
InChIInChI=1S/C27H37NO2/c1-25-16-22(25)27(12-10-23(29)30-27)26(2)11-9-20-19-8-6-18(28-13-3-4-14-28)15-17(19)5-7-21(20)24(25)26/h5,15,19-22,24H,3-4,6-14,16H2,1-2H3
InChIKeyWNSDYYCXELSDBU-UHFFFAOYSA-N
MW407.60 g/mol
LogP5.47
Rot. Bonds1

About 3',7'-dimethyl-14'-pyrrolidin-1-ylspiro[oxolane-5,6'-pentacyclo[8.8.0.02,7.03,5.011,16]octadeca-14,16-diene]-2-one

3',7'-dimethyl-14'-pyrrolidin-1-ylspiro[oxolane-5,6'-pentacyclo[8.8.0.02,7.03,5.011,16]octadeca-14,16-diene]-2-one (PubChem CID 143827954) has the molecular formula C27H37NO2 and a molecular weight of 407.60 g/mol. Its IUPAC name is 3',7'-dimethyl-14'-pyrrolidin-1-ylspiro[oxolane-5,6'-pentacyclo[8.8.0.02,7.03,5.011,16]octadeca-14,16-diene]-2-one.

Molecular Properties

Compound Name3',7'-dimethyl-14'-pyrrolidin-1-ylspiro[oxolane-5,6'-pentacyclo[8.8.0.02,7.03,5.011,16]octadeca-14,16-diene]-2-one
PubChem CID143827954
Molecular FormulaC27H37NO2
Molecular Weight407.60 g/mol
Exact Mass407.28
IUPAC Name3',7'-dimethyl-14'-pyrrolidin-1-ylspiro[oxolane-5,6'-pentacyclo[8.8.0.02,7.03,5.011,16]octadeca-14,16-diene]-2-one
SMILESCC12CC1C1(CCC(=O)O1)C1(C)CCC3C4CCC(N5CCCC5)=CC4=CCC3C21
InChIInChI=1S/C27H37NO2/c1-25-16-22(25)27(12-10-23(29)30-27)26(2)11-9-20-19-8-6-18(28-13-3-4-14-28)15-17(19)5-7-21(20)24(25)26/h5,15,19-22,24H,3-4,6-14,16H2,1-2H3
InChIKeyWNSDYYCXELSDBU-UHFFFAOYSA-N
XLogP5.47
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.60
LogP ≤ 55.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3',7'-dimethyl-14'-pyrrolidin-1-ylspiro[oxolane-5,6'-pentacyclo[8.8.0.02,7.03,5.011,16]octadeca-14,16-diene]-2-one with MolForge

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Related Compounds

1-[(2S)-7'-methylspiro[oxolane-2,6'-pentacyclo[8.8.0.02,7.03,5.011,16]octadeca-14,16-diene]-14'-yl]pyrrolidine
CID 70995961
(15S)-3-methoxy-13,15-dimethylspiro[2,7,8,9,10,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-17,5'-oxolane]-2'-one
CID 143827899
1-[(10R,13S,17R)-13-ethylspiro[2,7,8,9,10,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-17,5'-2H-furan]-3-yl]pyrrolidine;(10R,13S,17R)-13-ethylspiro[1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-17,5'-2H-furan]-3-one
CID 157279169
(13S,15R,16R,17S)-13,15,16-trimethylspiro[1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-17,5'-oxolane]-2',3-dione
CID 163806147
(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
1-(5,5-dimethyl-4,4a,6,7-tetrahydro-3H-naphthalen-2-yl)pyrrolidine
CID 56987122
(5S,7'S,18'S)-18'-cyclopropyl-7'-methylspiro[oxolane-5,6'-pentacyclo[8.8.0.02,7.03,5.011,16]octadec-15-ene]-2,14'-dione
CID 59612712
(5S,7'S,17'R)-17'-(hydroxymethyl)-7'-methylspiro[oxolane-5,6'-pentacyclo[8.8.0.02,7.03,5.011,16]octadec-15-ene]-2,14'-dione
CID 59612698
(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
(1R,10R,11S,14S,15S,16S,18S,19S)-10,14-dimethylspiro[hexacyclo[9.8.0.02,4.05,10.014,19.016,18]nonadec-5-ene-15,5'-oxolane]-2',7-dione
CID 59779299
(10R,14S,15S,16S)-10,14-dimethylspiro[hexacyclo[9.8.0.02,4.05,10.014,19.016,18]nonadec-5-ene-15,5'-oxolane]-2',7-dione
CID 143801851
(10R,14S,15R)-10,14-dimethylspiro[hexacyclo[9.8.0.02,4.05,10.014,19.016,18]nonadec-5-ene-15,5'-oxolane]-2',7-dione
CID 102552705

Frequently Asked Questions

What is the IUPAC name of 3',7'-dimethyl-14'-pyrrolidin-1-ylspiro[oxolane-5,6'-pentacyclo[8.8.0.02,7.03,5.011,16]octadeca-14,16-diene]-2-one?
The IUPAC name of 3',7'-dimethyl-14'-pyrrolidin-1-ylspiro[oxolane-5,6'-pentacyclo[8.8.0.02,7.03,5.011,16]octadeca-14,16-diene]-2-one (CID 143827954) is 3',7'-dimethyl-14'-pyrrolidin-1-ylspiro[oxolane-5,6'-pentacyclo[8.8.0.02,7.03,5.011,16]octadeca-14,16-diene]-2-one.
What is the SMILES notation for 3',7'-dimethyl-14'-pyrrolidin-1-ylspiro[oxolane-5,6'-pentacyclo[8.8.0.02,7.03,5.011,16]octadeca-14,16-diene]-2-one?
The canonical SMILES for 3',7'-dimethyl-14'-pyrrolidin-1-ylspiro[oxolane-5,6'-pentacyclo[8.8.0.02,7.03,5.011,16]octadeca-14,16-diene]-2-one is CC12CC1C1(CCC(=O)O1)C1(C)CCC3C4CCC(N5CCCC5)=CC4=CCC3C21.
What is the InChIKey of 3',7'-dimethyl-14'-pyrrolidin-1-ylspiro[oxolane-5,6'-pentacyclo[8.8.0.02,7.03,5.011,16]octadeca-14,16-diene]-2-one?
The InChIKey is WNSDYYCXELSDBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H37NO2/c1-25-16-22(25)27(12-10-23(29)30-27)26(2)11-9-20-19-8-6-18(28-13-3-4-14-28)15-17(19)5-7-21(20)24(25)26/h5,15,19-22,24H,3-4,6-14,16H2,1-2H3.
What are the key properties of 3',7'-dimethyl-14'-pyrrolidin-1-ylspiro[oxolane-5,6'-pentacyclo[8.8.0.02,7.03,5.011,16]octadeca-14,16-diene]-2-one?
3',7'-dimethyl-14'-pyrrolidin-1-ylspiro[oxolane-5,6'-pentacyclo[8.8.0.02,7.03,5.011,16]octadeca-14,16-diene]-2-one has a molecular weight of 407.60 g/mol, XLogP of 5.47, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3',7'-dimethyl-14'-pyrrolidin-1-ylspiro[oxolane-5,6'-pentacyclo[8.8.0.02,7.03,5.011,16]octadeca-14,16-diene]-2-one is sourced from PubChem (CID 143827954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).