CID 57372953

C7H13FeO2P — CID 57372953

IUPAC—
SMILESC=O.C=PC(C)(C)C.[C]=O.[Fe]
InChIInChI=1S/C5H11P.CH2O.CO.Fe/c1-5(2,3)6-4;2*1-2;/h4H2,1-3H3;1H2;;
InChIKeyITWMRZNSIXTWSX-UHFFFAOYSA-N
MW216.00 g/mol
LogP1.58
Rot. Bonds

About CID 57372953

CID 57372953 (PubChem CID 57372953) has the molecular formula C7H13FeO2P and a molecular weight of 216.00 g/mol.

Molecular Properties

Compound NameCID 57372953
PubChem CID57372953
Molecular FormulaC7H13FeO2P
Molecular Weight216.00 g/mol
Exact Mass216.00
IUPAC Name—
SMILESC=O.C=PC(C)(C)C.[C]=O.[Fe]
InChIInChI=1S/C5H11P.CH2O.CO.Fe/c1-5(2,3)6-4;2*1-2;/h4H2,1-3H3;1H2;;
InChIKeyITWMRZNSIXTWSX-UHFFFAOYSA-N
XLogP1.58
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.00
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze CID 57372953 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

chloromethane;formaldehyde
CID 22660304
2-methyl-2-phosphorosopropane
CID 12869886
copper;formaldehyde;2-methylpropan-2-ol
CID 173085464
methylidene(2,5,5-trimethylhexan-2-yl)phosphane
CID 90713071
ethane;formaldehyde;hydrate
CID 173433159
N-(2-methoxyethyl)-2-methylbut-3-en-2-amine
CID 163848175
diiodorhodium;formaldehyde
CID 18466506
formaldehyde;tetramethylazanium
CID 57468222
2-(2,2-dimethylpropoxy)ethyl 2-methoxyprop-2-enoate
CID 175512775
2,2-dimethylpropane;ethane;ethene
CID 143720811
formaldehyde;manganese
CID 172995542
formaldehyde;tungsten
CID 15325697

Frequently Asked Questions

What is the IUPAC name of CID 57372953?
The IUPAC name of CID 57372953 (CID 57372953) is not available.
What is the SMILES notation for CID 57372953?
The canonical SMILES for CID 57372953 is C=O.C=PC(C)(C)C.[C]=O.[Fe].
What is the InChIKey of CID 57372953?
The InChIKey is ITWMRZNSIXTWSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11P.CH2O.CO.Fe/c1-5(2,3)6-4;2*1-2;/h4H2,1-3H3;1H2;;.
What are the key properties of CID 57372953?
CID 57372953 has a molecular weight of 216.00 g/mol, XLogP of 1.58, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 57372953 is sourced from PubChem (CID 57372953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).