15-imino-2,16-dimethyltetracyclo[9.7.0.02,7.012,16]octadeca-6,8-dien-5-one

C20H27NO — CID 143166214

IUPAC15-imino-2,16-dimethyltetracyclo[9.7.0.02,7.012,16]octadeca-6,8-dien-5-one
SMILES[H]/N=C1\CCC2C3CC=CC4=CC(=O)CCC4(C)C3CCC12C
InChIInChI=1S/C20H27NO/c1-19-10-8-14(22)12-13(19)4-3-5-15-16-6-7-18(21)20(16,2)11-9-17(15)19/h3-4,12,15-17,21H,5-11H2,1-2H3/b21-18+
InChIKeyOYOZHHZKZUPVSJ-DYTRJAOYSA-N
MW297.44 g/mol
LogP4.70
Rot. Bonds

About 15-imino-2,16-dimethyltetracyclo[9.7.0.02,7.012,16]octadeca-6,8-dien-5-one

15-imino-2,16-dimethyltetracyclo[9.7.0.02,7.012,16]octadeca-6,8-dien-5-one (PubChem CID 143166214) has the molecular formula C20H27NO and a molecular weight of 297.44 g/mol. Its IUPAC name is 15-imino-2,16-dimethyltetracyclo[9.7.0.02,7.012,16]octadeca-6,8-dien-5-one.

Molecular Properties

Compound Name15-imino-2,16-dimethyltetracyclo[9.7.0.02,7.012,16]octadeca-6,8-dien-5-one
PubChem CID143166214
Molecular FormulaC20H27NO
Molecular Weight297.44 g/mol
Exact Mass297.21
IUPAC Name15-imino-2,16-dimethyltetracyclo[9.7.0.02,7.012,16]octadeca-6,8-dien-5-one
SMILES[H]/N=C1\CCC2C3CC=CC4=CC(=O)CCC4(C)C3CCC12C
InChIInChI=1S/C20H27NO/c1-19-10-8-14(22)12-13(19)4-3-5-15-16-6-7-18(21)20(16,2)11-9-17(15)19/h3-4,12,15-17,21H,5-11H2,1-2H3/b21-18+
InChIKeyOYOZHHZKZUPVSJ-DYTRJAOYSA-N
XLogP4.70
TPSA40.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.44
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 15-imino-2,16-dimethyltetracyclo[9.7.0.02,7.012,16]octadeca-6,8-dien-5-one with MolForge

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Related Compounds

(8R,9S,10R,13S,14S)-4-imino-10,13-dimethyl-6-(trifluoromethyl)-5,8,9,11,12,14,15,16-octahydrocyclopenta[a]phenanthrene-3,17-dione
CID 57034399
(8R,9S,10R,13S,14S)-6-(fluoromethylidene)-4-imino-10,13-dimethyl-7,8,9,11,12,14,15,16-octahydro-5H-cyclopenta[a]phenanthrene-3,17-dione
CID 57035918
(8R,9S,10R,13S,14S)-6-(fluoromethylidene)-4-imino-1,10,13-trimethyl-7,8,9,11,12,14,15,16-octahydro-5H-cyclopenta[a]phenanthrene-3,17-dione
CID 57053437
(8R,9S,10R,13S,14S)-2-fluoro-4-imino-10,13-dimethyl-6-methylidene-7,8,9,11,12,14,15,16-octahydro-5H-cyclopenta[a]phenanthrene-3,17-dione
CID 57079765
(8R,9S,10R,13S,14S)-2-fluoro-4-imino-10,13-dimethyl-5,8,9,11,12,14,15,16-octahydrocyclopenta[a]phenanthrene-3,17-dione
CID 57096827
(1S,8S,9S,10R,13S,14S)-1-fluoro-4-imino-10,13-dimethyl-2-methylidene-5,8,9,11,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthrene-3,17-dione
CID 57109380
(8R,9S,10R,13S,14S)-6-fluoro-4-imino-10,13-dimethyl-5,8,9,11,12,14,15,16-octahydrocyclopenta[a]phenanthrene-3,17-dione
CID 57123722
(7S,8R,9S,10R,13S,14S)-6-(fluoromethylidene)-4-imino-1,7,10,13-tetramethyl-7,8,9,11,12,14,15,16-octahydro-5H-cyclopenta[a]phenanthrene-3,17-dione
CID 57180790
(8R,9S,10S,13S,14S)-2,6-difluoro-4-imino-10,13-dimethyl-5,8,9,11,12,14,15,16-octahydrocyclopenta[a]phenanthrene-3,17-dione
CID 57185953
(7S,8R,9S,10R,13S,14S)-7-(fluoromethyl)-4-imino-10,13-dimethyl-6-methylidene-7,8,9,11,12,14,15,16-octahydro-5H-cyclopenta[a]phenanthrene-3,17-dione
CID 57215785
(8R,9S,10R,13S,14S)-2-fluoro-4-imino-6,10,13-trimethyl-5,8,9,11,12,14,15,16-octahydrocyclopenta[a]phenanthrene-3,17-dione
CID 57241358
(10R,13S)-16-fluoro-3-imino-10,13-dimethyl-6-methylidene-1,2,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-one
CID 68058017

Frequently Asked Questions

What is the IUPAC name of 15-imino-2,16-dimethyltetracyclo[9.7.0.02,7.012,16]octadeca-6,8-dien-5-one?
The IUPAC name of 15-imino-2,16-dimethyltetracyclo[9.7.0.02,7.012,16]octadeca-6,8-dien-5-one (CID 143166214) is 15-imino-2,16-dimethyltetracyclo[9.7.0.02,7.012,16]octadeca-6,8-dien-5-one.
What is the SMILES notation for 15-imino-2,16-dimethyltetracyclo[9.7.0.02,7.012,16]octadeca-6,8-dien-5-one?
The canonical SMILES for 15-imino-2,16-dimethyltetracyclo[9.7.0.02,7.012,16]octadeca-6,8-dien-5-one is [H]/N=C1\CCC2C3CC=CC4=CC(=O)CCC4(C)C3CCC12C.
What is the InChIKey of 15-imino-2,16-dimethyltetracyclo[9.7.0.02,7.012,16]octadeca-6,8-dien-5-one?
The InChIKey is OYOZHHZKZUPVSJ-DYTRJAOYSA-N. The full InChI is InChI=1S/C20H27NO/c1-19-10-8-14(22)12-13(19)4-3-5-15-16-6-7-18(21)20(16,2)11-9-17(15)19/h3-4,12,15-17,21H,5-11H2,1-2H3/b21-18+.
What are the key properties of 15-imino-2,16-dimethyltetracyclo[9.7.0.02,7.012,16]octadeca-6,8-dien-5-one?
15-imino-2,16-dimethyltetracyclo[9.7.0.02,7.012,16]octadeca-6,8-dien-5-one has a molecular weight of 297.44 g/mol, XLogP of 4.70, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 15-imino-2,16-dimethyltetracyclo[9.7.0.02,7.012,16]octadeca-6,8-dien-5-one is sourced from PubChem (CID 143166214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).