CID 123179023

C23H29NO3 — CID 123179023

IUPAC—
SMILESC[C@]12CCC3C4CC/C(=N/O)C=C4CCC3C1CC1(CC1)[C@@]21C=CC(=O)O1
InChIInChI=1S/C23H29NO3/c1-21-8-6-17-16-5-3-15(24-26)12-14(16)2-4-18(17)19(21)13-22(10-11-22)23(21)9-7-20(25)27-23/h7,9,12,16-19,26H,2-6,8,10-11,13H2,1H3/b24-15-/t16?,17?,18?,19?,21-,23+/m0/s1
InChIKeyUAEIMLOCXZAOKX-BAPWZRFFSA-N
MW367.49 g/mol
LogP4.63
Rot. Bonds

About CID 123179023

CID 123179023 (PubChem CID 123179023) has the molecular formula C23H29NO3 and a molecular weight of 367.49 g/mol.

Molecular Properties

Compound NameCID 123179023
PubChem CID123179023
Molecular FormulaC23H29NO3
Molecular Weight367.49 g/mol
Exact Mass367.21
IUPAC Name—
SMILESC[C@]12CCC3C4CC/C(=N/O)C=C4CCC3C1CC1(CC1)[C@@]21C=CC(=O)O1
InChIInChI=1S/C23H29NO3/c1-21-8-6-17-16-5-3-15(24-26)12-14(16)2-4-18(17)19(21)13-22(10-11-22)23(21)9-7-20(25)27-23/h7,9,12,16-19,26H,2-6,8,10-11,13H2,1H3/b24-15-/t16?,17?,18?,19?,21-,23+/m0/s1
InChIKeyUAEIMLOCXZAOKX-BAPWZRFFSA-N
XLogP4.63
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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

(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 59617856
CID 59617856
CID 58109792
CID 58109792
(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'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'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
[(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
(13R)-17-hydroxy-17-[(Z)-3-hydroxyprop-1-enyl]-13-methylspiro[2,6,7,8,9,10,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthrene-16,1'-cyclopropane]-3-one
CID 70992356
(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
(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
(3Z,10R,13S,17S)-17-(1-butyltriazol-4-yl)-3-hydroxyimino-13-methyl-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-ol
CID 90049355

Frequently Asked Questions

What is the IUPAC name of CID 123179023?
The IUPAC name of CID 123179023 (CID 123179023) is not available.
What is the SMILES notation for CID 123179023?
The canonical SMILES for CID 123179023 is C[C@]12CCC3C4CC/C(=N/O)C=C4CCC3C1CC1(CC1)[C@@]21C=CC(=O)O1.
What is the InChIKey of CID 123179023?
The InChIKey is UAEIMLOCXZAOKX-BAPWZRFFSA-N. The full InChI is InChI=1S/C23H29NO3/c1-21-8-6-17-16-5-3-15(24-26)12-14(16)2-4-18(17)19(21)13-22(10-11-22)23(21)9-7-20(25)27-23/h7,9,12,16-19,26H,2-6,8,10-11,13H2,1H3/b24-15-/t16?,17?,18?,19?,21-,23+/m0/s1.
What are the key properties of CID 123179023?
CID 123179023 has a molecular weight of 367.49 g/mol, XLogP of 4.63, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 123179023 is sourced from PubChem (CID 123179023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).