carbon monoxide;iron;2-methylprop-1-enylbenzene

C13H12FeO3 — CID 10945570

IUPACcarbon monoxide;iron;2-methylprop-1-enylbenzene
SMILESCC(C)=Cc1ccccc1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Fe]
InChIInChI=1S/C10H12.3CO.Fe/c1-9(2)8-10-6-4-3-5-7-10;3*1-2;/h3-8H,1-2H3;;;;
InChIKeyVBTCHBCSCLFXGR-UHFFFAOYSA-N
MW272.08 g/mol
LogP2.99
Rot. Bonds1

About carbon monoxide;iron;2-methylprop-1-enylbenzene

carbon monoxide;iron;2-methylprop-1-enylbenzene (PubChem CID 10945570) has the molecular formula C13H12FeO3 and a molecular weight of 272.08 g/mol. Its IUPAC name is carbon monoxide;iron;2-methylprop-1-enylbenzene.

Molecular Properties

Compound Namecarbon monoxide;iron;2-methylprop-1-enylbenzene
PubChem CID10945570
Molecular FormulaC13H12FeO3
Molecular Weight272.08 g/mol
Exact Mass272.01
IUPAC Namecarbon monoxide;iron;2-methylprop-1-enylbenzene
SMILESCC(C)=Cc1ccccc1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Fe]
InChIInChI=1S/C10H12.3CO.Fe/c1-9(2)8-10-6-4-3-5-7-10;3*1-2;/h3-8H,1-2H3;;;;
InChIKeyVBTCHBCSCLFXGR-UHFFFAOYSA-N
XLogP2.99
TPSA59.70 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.08
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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'}

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Related Compounds

1-(1-phenylprop-1-en-2-yl)-2-propan-2-ylbenzene
CID 54101312
[(E)-2-[[(E)-1-phenylprop-1-en-2-yl]ditellanyl]prop-1-enyl]benzene
CID 134881508
1H-indene;2-methylprop-1-enylbenzene
CID 159355673
[(1E,3E)-3-acetyloxy-1,4-diphenylbuta-1,3-dien-2-yl] acetate
CID 102523704
1-methyl-2-(1-phenylprop-1-en-2-yl)benzene
CID 606421
4-(2-phenylprop-1-enyl)phenol
CID 54547938
(E)-N,N-dimethyl-1-phenylprop-1-en-2-amine
CID 12573346
N-(1-phenylprop-1-en-2-yl)hydroxylamine
CID 174837746
4-[(Z)-1-phenylprop-1-en-2-yl]pyridine
CID 14770496
1,3-dimethyl-5-[(E)-1-phenylprop-1-en-2-yl]benzene
CID 15520037
dichloro(1-phenylprop-1-en-2-yl)silane
CID 154143014
[(E)-3-bromo-2-methylprop-1-enyl]benzene
CID 10910824

Frequently Asked Questions

What is the IUPAC name of carbon monoxide;iron;2-methylprop-1-enylbenzene?
The IUPAC name of carbon monoxide;iron;2-methylprop-1-enylbenzene (CID 10945570) is carbon monoxide;iron;2-methylprop-1-enylbenzene.
What is the SMILES notation for carbon monoxide;iron;2-methylprop-1-enylbenzene?
The canonical SMILES for carbon monoxide;iron;2-methylprop-1-enylbenzene is CC(C)=Cc1ccccc1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Fe].
What is the InChIKey of carbon monoxide;iron;2-methylprop-1-enylbenzene?
The InChIKey is VBTCHBCSCLFXGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12.3CO.Fe/c1-9(2)8-10-6-4-3-5-7-10;3*1-2;/h3-8H,1-2H3;;;;.
What are the key properties of carbon monoxide;iron;2-methylprop-1-enylbenzene?
carbon monoxide;iron;2-methylprop-1-enylbenzene has a molecular weight of 272.08 g/mol, XLogP of 2.99, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for carbon monoxide;iron;2-methylprop-1-enylbenzene is sourced from PubChem (CID 10945570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).