carbon monoxide;1-[(5S)-5-hydroxycyclohexa-1,3-dien-1-yl]ethanone;iron

C11H10FeO5 — CID 14788585

IUPACcarbon monoxide;1-[(5S)-5-hydroxycyclohexa-1,3-dien-1-yl]ethanone;iron
SMILESCC(=O)C1=CC=C[C@@H](O)C1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Fe]
InChIInChI=1S/C8H10O2.3CO.Fe/c1-6(9)7-3-2-4-8(10)5-7;3*1-2;/h2-4,8,10H,5H2,1H3;;;;/t8-;;;;/m1..../s1
InChIKeyQVXBOJSSDCSZHH-XWCOYVICSA-N
MW278.04 g/mol
LogP0.71
Rot. Bonds1

About carbon monoxide;1-[(5S)-5-hydroxycyclohexa-1,3-dien-1-yl]ethanone;iron

carbon monoxide;1-[(5S)-5-hydroxycyclohexa-1,3-dien-1-yl]ethanone;iron (PubChem CID 14788585) has the molecular formula C11H10FeO5 and a molecular weight of 278.04 g/mol. Its IUPAC name is carbon monoxide;1-[(5S)-5-hydroxycyclohexa-1,3-dien-1-yl]ethanone;iron.

Molecular Properties

Compound Namecarbon monoxide;1-[(5S)-5-hydroxycyclohexa-1,3-dien-1-yl]ethanone;iron
PubChem CID14788585
Molecular FormulaC11H10FeO5
Molecular Weight278.04 g/mol
Exact Mass277.99
IUPAC Namecarbon monoxide;1-[(5S)-5-hydroxycyclohexa-1,3-dien-1-yl]ethanone;iron
SMILESCC(=O)C1=CC=C[C@@H](O)C1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Fe]
InChIInChI=1S/C8H10O2.3CO.Fe/c1-6(9)7-3-2-4-8(10)5-7;3*1-2;/h2-4,8,10H,5H2,1H3;;;;/t8-;;;;/m1..../s1
InChIKeyQVXBOJSSDCSZHH-XWCOYVICSA-N
XLogP0.71
TPSA97.00 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.04
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze carbon monoxide;1-[(5S)-5-hydroxycyclohexa-1,3-dien-1-yl]ethanone;iron with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

carbon monoxide;1-cyclohexa-1,3-dien-1-ylethanone;iron
CID 11043549
1-(5-methylcyclohepta-1,3-dien-1-yl)ethanone
CID 91374956
1-(6-acetylcyclohepta-1,3,5-trien-1-yl)ethanone
CID 11378812
methyl 5-propan-2-ylcyclohexa-1,3-diene-1-carboxylate
CID 123847160
4-acetyl-1,3-dihydroazepin-2-one
CID 13253304
1-[4-[(4-acetyl-6-methylcyclohexa-1,3-dien-1-yl)-methylamino]-5-methylcyclohexa-1,3-dien-1-yl]ethanone
CID 139438563
1-(3-methylcyclohexen-1-yl)ethanone
CID 12567210
1-(3a,4-dihydro-1,3-benzodioxol-5-yl)ethanone
CID 154561296
1-cyclohexa-1,3-dien-1-ylethanone;N-methylmethanamine
CID 143915057
1-(5-aminocyclohexa-2,4-dien-1-yl)ethanone
CID 70328282
acetic acid;cyclohexa-2,4-dien-1-ol
CID 139242866
1-(4-methylcyclopenten-1-yl)ethanone
CID 67159901

Frequently Asked Questions

What is the IUPAC name of carbon monoxide;1-[(5S)-5-hydroxycyclohexa-1,3-dien-1-yl]ethanone;iron?
The IUPAC name of carbon monoxide;1-[(5S)-5-hydroxycyclohexa-1,3-dien-1-yl]ethanone;iron (CID 14788585) is carbon monoxide;1-[(5S)-5-hydroxycyclohexa-1,3-dien-1-yl]ethanone;iron.
What is the SMILES notation for carbon monoxide;1-[(5S)-5-hydroxycyclohexa-1,3-dien-1-yl]ethanone;iron?
The canonical SMILES for carbon monoxide;1-[(5S)-5-hydroxycyclohexa-1,3-dien-1-yl]ethanone;iron is CC(=O)C1=CC=C[C@@H](O)C1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Fe].
What is the InChIKey of carbon monoxide;1-[(5S)-5-hydroxycyclohexa-1,3-dien-1-yl]ethanone;iron?
The InChIKey is QVXBOJSSDCSZHH-XWCOYVICSA-N. The full InChI is InChI=1S/C8H10O2.3CO.Fe/c1-6(9)7-3-2-4-8(10)5-7;3*1-2;/h2-4,8,10H,5H2,1H3;;;;/t8-;;;;/m1..../s1.
What are the key properties of carbon monoxide;1-[(5S)-5-hydroxycyclohexa-1,3-dien-1-yl]ethanone;iron?
carbon monoxide;1-[(5S)-5-hydroxycyclohexa-1,3-dien-1-yl]ethanone;iron has a molecular weight of 278.04 g/mol, XLogP of 0.71, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for carbon monoxide;1-[(5S)-5-hydroxycyclohexa-1,3-dien-1-yl]ethanone;iron is sourced from PubChem (CID 14788585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).