2-hydroxyethylurea;iron

C3H8FeN2O2 — CID 174789558

IUPAC2-hydroxyethylurea;iron
SMILESNC(=O)NCCO.[Fe]
InChIInChI=1S/C3H8N2O2.Fe/c4-3(7)5-1-2-6;/h6H,1-2H2,(H3,4,5,7);
InChIKeyXXPFZCKFXSYREP-UHFFFAOYSA-N
MW159.95 g/mol
LogP-1.36
Rot. Bonds2

About 2-hydroxyethylurea;iron

2-hydroxyethylurea;iron (PubChem CID 174789558) has the molecular formula C3H8FeN2O2 and a molecular weight of 159.95 g/mol. Its IUPAC name is 2-hydroxyethylurea;iron.

Molecular Properties

Compound Name2-hydroxyethylurea;iron
PubChem CID174789558
Molecular FormulaC3H8FeN2O2
Molecular Weight159.95 g/mol
Exact Mass159.99
IUPAC Name2-hydroxyethylurea;iron
SMILESNC(=O)NCCO.[Fe]
InChIInChI=1S/C3H8N2O2.Fe/c4-3(7)5-1-2-6;/h6H,1-2H2,(H3,4,5,7);
InChIKeyXXPFZCKFXSYREP-UHFFFAOYSA-N
XLogP-1.36
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.95
LogP ≤ 5-1.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethane;2-hydroxyethylurea
CID 144763401
12-hydroxydodecylurea
CID 57265418
2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethylurea
CID 71392373
2-(6-hydroxyhexylamino)ethylurea
CID 107703572
3-amino-N-(2-hydroxyethyl)-3-sulfanylidenepropanamide
CID 65416830
3-chloropropylurea
CID 6421120
bis[2-(carbamoylamino)ethyl] oxalate
CID 175560213
2-amino-N,N'-bis(2-hydroxyethyl)propanediamide
CID 173250932
2-[2-(2-aminoethylamino)ethylamino]ethylurea
CID 175595434
2-(dimethylamino)ethylurea
CID 16785331
N-[2-(carbamoylamino)ethyl]propanamide
CID 78993883
5-(carbamoylamino)pentanamide;hydrochloride
CID 175794567

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethylurea;iron?
The IUPAC name of 2-hydroxyethylurea;iron (CID 174789558) is 2-hydroxyethylurea;iron.
What is the SMILES notation for 2-hydroxyethylurea;iron?
The canonical SMILES for 2-hydroxyethylurea;iron is NC(=O)NCCO.[Fe].
What is the InChIKey of 2-hydroxyethylurea;iron?
The InChIKey is XXPFZCKFXSYREP-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8N2O2.Fe/c4-3(7)5-1-2-6;/h6H,1-2H2,(H3,4,5,7);.
What are the key properties of 2-hydroxyethylurea;iron?
2-hydroxyethylurea;iron has a molecular weight of 159.95 g/mol, XLogP of -1.36, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethylurea;iron is sourced from PubChem (CID 174789558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).