(17Z)-17-methoxyimino-15,16-dihydrocyclopenta[a]phenanthrene-3,4-dione

C18H13NO3 — CID 6506538

IUPAC(17Z)-17-methoxyimino-15,16-dihydrocyclopenta[a]phenanthrene-3,4-dione
SMILESCO/N=C1/CCc2c1ccc1c3c(ccc21)C(=O)C(=O)C=C3
InChIInChI=1S/C18H13NO3/c1-22-19-16-8-6-12-10-3-5-15-13(7-9-17(20)18(15)21)11(10)2-4-14(12)16/h2-5,7,9H,6,8H2,1H3/b19-16-
InChIKeyZTRJELYBPMBMNF-MNDPQUGUSA-N
MW291.31 g/mol
LogP2.92
Rot. Bonds1

About (17Z)-17-methoxyimino-15,16-dihydrocyclopenta[a]phenanthrene-3,4-dione

(17Z)-17-methoxyimino-15,16-dihydrocyclopenta[a]phenanthrene-3,4-dione (PubChem CID 6506538) has the molecular formula C18H13NO3 and a molecular weight of 291.31 g/mol. Its IUPAC name is (17Z)-17-methoxyimino-15,16-dihydrocyclopenta[a]phenanthrene-3,4-dione.

Molecular Properties

Compound Name(17Z)-17-methoxyimino-15,16-dihydrocyclopenta[a]phenanthrene-3,4-dione
PubChem CID6506538
Molecular FormulaC18H13NO3
Molecular Weight291.31 g/mol
Exact Mass291.09
IUPAC Name(17Z)-17-methoxyimino-15,16-dihydrocyclopenta[a]phenanthrene-3,4-dione
SMILESCO/N=C1/CCc2c1ccc1c3c(ccc21)C(=O)C(=O)C=C3
InChIInChI=1S/C18H13NO3/c1-22-19-16-8-6-12-10-3-5-15-13(7-9-17(20)18(15)21)11(10)2-4-14(12)16/h2-5,7,9H,6,8H2,1H3/b19-16-
InChIKeyZTRJELYBPMBMNF-MNDPQUGUSA-N
XLogP2.92
TPSA55.73 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'quinone_D(2)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (17Z)-17-methoxyimino-15,16-dihydrocyclopenta[a]phenanthrene-3,4-dione?
The IUPAC name of (17Z)-17-methoxyimino-15,16-dihydrocyclopenta[a]phenanthrene-3,4-dione (CID 6506538) is (17Z)-17-methoxyimino-15,16-dihydrocyclopenta[a]phenanthrene-3,4-dione.
What is the SMILES notation for (17Z)-17-methoxyimino-15,16-dihydrocyclopenta[a]phenanthrene-3,4-dione?
The canonical SMILES for (17Z)-17-methoxyimino-15,16-dihydrocyclopenta[a]phenanthrene-3,4-dione is CO/N=C1/CCc2c1ccc1c3c(ccc21)C(=O)C(=O)C=C3.
What is the InChIKey of (17Z)-17-methoxyimino-15,16-dihydrocyclopenta[a]phenanthrene-3,4-dione?
The InChIKey is ZTRJELYBPMBMNF-MNDPQUGUSA-N. The full InChI is InChI=1S/C18H13NO3/c1-22-19-16-8-6-12-10-3-5-15-13(7-9-17(20)18(15)21)11(10)2-4-14(12)16/h2-5,7,9H,6,8H2,1H3/b19-16-.
What are the key properties of (17Z)-17-methoxyimino-15,16-dihydrocyclopenta[a]phenanthrene-3,4-dione?
(17Z)-17-methoxyimino-15,16-dihydrocyclopenta[a]phenanthrene-3,4-dione has a molecular weight of 291.31 g/mol, XLogP of 2.92, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (17Z)-17-methoxyimino-15,16-dihydrocyclopenta[a]phenanthrene-3,4-dione is sourced from PubChem (CID 6506538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).