CID 59617856

C24H33NO2 — CID 59617856

IUPAC—
SMILESCC[C@]12CCC3C4CC/C(=N\O)C=C4CCC3C1CC1(CC1)[C@@]21C=CCO1
InChIInChI=1S/C24H33NO2/c1-2-23-10-8-19-18-7-5-17(25-26)14-16(18)4-6-20(19)21(23)15-22(11-12-22)24(23)9-3-13-27-24/h3,9,14,18-21,26H,2,4-8,10-13,15H2,1H3/b25-17+/t18?,19?,20?,21?,23-,24-/m0/s1
InChIKeyOOEGUAKIMJYFLB-ARACLDGCSA-N
MW367.53 g/mol
LogP5.49
Rot. Bonds1

About CID 59617856

CID 59617856 (PubChem CID 59617856) has the molecular formula C24H33NO2 and a molecular weight of 367.53 g/mol.

Molecular Properties

Compound NameCID 59617856
PubChem CID59617856
Molecular FormulaC24H33NO2
Molecular Weight367.53 g/mol
Exact Mass367.25
IUPAC Name—
SMILESCC[C@]12CCC3C4CC/C(=N\O)C=C4CCC3C1CC1(CC1)[C@@]21C=CCO1
InChIInChI=1S/C24H33NO2/c1-2-23-10-8-19-18-7-5-17(25-26)14-16(18)4-6-20(19)21(23)15-22(11-12-22)24(23)9-3-13-27-24/h3,9,14,18-21,26H,2,4-8,10-13,15H2,1H3/b25-17+/t18?,19?,20?,21?,23-,24-/m0/s1
InChIKeyOOEGUAKIMJYFLB-ARACLDGCSA-N
XLogP5.49
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.53
LogP ≤ 55.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(NE)-N-[(5S,7'S,11'R)-7'-ethylspiro[2H-furan-5,6'-pentacyclo[8.8.0.02,7.03,5.011,16]octadec-15-ene]-14'-ylidene]hydroxylamine
CID 58092661
(3E,13S,17R)-13-ethyl-17-ethynyl-3-hydroxyimino-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-ol
CID 154731453
(3E,8R,9S,10R,13S,14S,17S)-13-ethyl-17-ethynyl-3-hydroxyimino-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-ol
CID 87732189
CID 123179023
CID 123179023
(1R,2R,3R,5S,6S,7S,10S,11R,14Z)-7-ethyl-14-hydroxyimino-6-methylpentacyclo[8.8.0.02,7.03,5.011,16]octadec-15-ene-6-carbonitrile
CID 87622623
(8R,9S,10R,13R,14S,17R)-13-ethyl-17-ethynyl-17-hydroxy-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one
CID 6973662
(8S,9S,10R,13S,14S,17R)-13-ethyl-17-ethynyl-17-hydroxy-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one
CID 12598305
[(8R,9S,10R,13S,14S,17S)-13-ethyl-17-ethynyl-3-hydroxyimino-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-16-yl] acetate
CID 143324827
ethene;(17S)-13-ethyl-17-hydroxy-17-methyl-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one
CID 142561507
[(3E,8R,9S,10R,13S,14S)-17-ethynyl-3-hydroxyimino-13-methyl-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl] hexanoate
CID 177422934
(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
(8R,9S,10R,13S,14S,17S)-13-ethyl-17-[2-[4-[2-[(8R,9S,10R,13S,14S,17S)-13-ethyl-17-hydroxy-3-oxo-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl]ethynyl]phenyl]ethynyl]-17-hydroxy-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one
CID 102335618

Frequently Asked Questions

What is the IUPAC name of CID 59617856?
The IUPAC name of CID 59617856 (CID 59617856) is not available.
What is the SMILES notation for CID 59617856?
The canonical SMILES for CID 59617856 is CC[C@]12CCC3C4CC/C(=N\O)C=C4CCC3C1CC1(CC1)[C@@]21C=CCO1.
What is the InChIKey of CID 59617856?
The InChIKey is OOEGUAKIMJYFLB-ARACLDGCSA-N. The full InChI is InChI=1S/C24H33NO2/c1-2-23-10-8-19-18-7-5-17(25-26)14-16(18)4-6-20(19)21(23)15-22(11-12-22)24(23)9-3-13-27-24/h3,9,14,18-21,26H,2,4-8,10-13,15H2,1H3/b25-17+/t18?,19?,20?,21?,23-,24-/m0/s1.
What are the key properties of CID 59617856?
CID 59617856 has a molecular weight of 367.53 g/mol, XLogP of 5.49, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59617856 is sourced from PubChem (CID 59617856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).