2-hydroxyiminocyclopenta[b]naphthalene-1,3-dione

C13H7NO3 — CID 12583820

IUPAC2-hydroxyiminocyclopenta[b]naphthalene-1,3-dione
SMILESO=c1c(=NO)c(=O)c2cc3ccccc3cc12
InChIInChI=1S/C13H7NO3/c15-12-9-5-7-3-1-2-4-8(7)6-10(9)13(16)11(12)14-17/h1-6,17H
InChIKeyKFTAZKAKHISVFE-UHFFFAOYSA-N
MW225.20 g/mol
LogP0.88
Rot. Bonds

About 2-hydroxyiminocyclopenta[b]naphthalene-1,3-dione

2-hydroxyiminocyclopenta[b]naphthalene-1,3-dione (PubChem CID 12583820) has the molecular formula C13H7NO3 and a molecular weight of 225.20 g/mol. Its IUPAC name is 2-hydroxyiminocyclopenta[b]naphthalene-1,3-dione.

Molecular Properties

Compound Name2-hydroxyiminocyclopenta[b]naphthalene-1,3-dione
PubChem CID12583820
Molecular FormulaC13H7NO3
Molecular Weight225.20 g/mol
Exact Mass225.04
IUPAC Name2-hydroxyiminocyclopenta[b]naphthalene-1,3-dione
SMILESO=c1c(=NO)c(=O)c2cc3ccccc3cc12
InChIInChI=1S/C13H7NO3/c15-12-9-5-7-3-1-2-4-8(7)6-10(9)13(16)11(12)14-17/h1-6,17H
InChIKeyKFTAZKAKHISVFE-UHFFFAOYSA-N
XLogP0.88
TPSA66.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.20
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

cyclopenta[b]naphthalene-1,2,3-trione
CID 581122
(2Z,4E)-2,4-bis(hydroxyimino)naphthalene-1,3-dione
CID 135509202
1,2-bis(propan-2-ylimino)cyclopenta[b]naphthalen-3-one
CID 23558962
(1Z)-1-hydrazinylidene-2-methyliminocyclopenta[b]naphthalen-3-one
CID 142105962
(2Z)-4,6-dichloro-2-hydroxyiminoindene-1,3-dione
CID 87794112
heptacyclo[12.10.0.03,12.05,10.016,23.017,19.020,22]tetracosa-1,3,5,7,9,11,13,15,17(19),20(22),23-undecaene-18,21-dione
CID 140516739
benzo[g][2,3]benzodioxine-1,4-dione
CID 164673026
5-oxatricyclo[7.6.0.03,7]pentadeca-1,3(7),8,10,12,14-hexaene-4,6-dione
CID 71358715
CID 175042046
CID 175042046
hexacyclo[10.10.0.02,11.04,9.014,21.015,20]docosa-1(12),2,4,6,8,10,13,15,17,19,21-undecaene
CID 14063000
2-oxo-2-pentacen-6-ylacetaldehyde
CID 87834317
(4Z)-4-hydroxyiminobenzo[a]anthracene-3,7,12-trione
CID 135588781

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyiminocyclopenta[b]naphthalene-1,3-dione?
The IUPAC name of 2-hydroxyiminocyclopenta[b]naphthalene-1,3-dione (CID 12583820) is 2-hydroxyiminocyclopenta[b]naphthalene-1,3-dione.
What is the SMILES notation for 2-hydroxyiminocyclopenta[b]naphthalene-1,3-dione?
The canonical SMILES for 2-hydroxyiminocyclopenta[b]naphthalene-1,3-dione is O=c1c(=NO)c(=O)c2cc3ccccc3cc12.
What is the InChIKey of 2-hydroxyiminocyclopenta[b]naphthalene-1,3-dione?
The InChIKey is KFTAZKAKHISVFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7NO3/c15-12-9-5-7-3-1-2-4-8(7)6-10(9)13(16)11(12)14-17/h1-6,17H.
What are the key properties of 2-hydroxyiminocyclopenta[b]naphthalene-1,3-dione?
2-hydroxyiminocyclopenta[b]naphthalene-1,3-dione has a molecular weight of 225.20 g/mol, XLogP of 0.88, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyiminocyclopenta[b]naphthalene-1,3-dione is sourced from PubChem (CID 12583820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).