1-(2,2-dihydroxyethyl)-1,3-dimethylurea

C5H12N2O3 — CID 87957060

IUPAC1-(2,2-dihydroxyethyl)-1,3-dimethylurea
SMILESCNC(=O)N(C)CC(O)O
InChIInChI=1S/C5H12N2O3/c1-6-5(10)7(2)3-4(8)9/h4,8-9H,3H2,1-2H3,(H,6,10)
InChIKeyRAKKOSVBCSYSJP-UHFFFAOYSA-N
MW148.16 g/mol
LogP-1.43
Rot. Bonds2

About 1-(2,2-dihydroxyethyl)-1,3-dimethylurea

1-(2,2-dihydroxyethyl)-1,3-dimethylurea (PubChem CID 87957060) has the molecular formula C5H12N2O3 and a molecular weight of 148.16 g/mol. Its IUPAC name is 1-(2,2-dihydroxyethyl)-1,3-dimethylurea.

Molecular Properties

Compound Name1-(2,2-dihydroxyethyl)-1,3-dimethylurea
PubChem CID87957060
Molecular FormulaC5H12N2O3
Molecular Weight148.16 g/mol
Exact Mass148.08
IUPAC Name1-(2,2-dihydroxyethyl)-1,3-dimethylurea
SMILESCNC(=O)N(C)CC(O)O
InChIInChI=1S/C5H12N2O3/c1-6-5(10)7(2)3-4(8)9/h4,8-9H,3H2,1-2H3,(H,6,10)
InChIKeyRAKKOSVBCSYSJP-UHFFFAOYSA-N
XLogP-1.43
TPSA72.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.16
LogP ≤ 5-1.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dihydroxyethyl)-1,3-dimethylurea?
The IUPAC name of 1-(2,2-dihydroxyethyl)-1,3-dimethylurea (CID 87957060) is 1-(2,2-dihydroxyethyl)-1,3-dimethylurea.
What is the SMILES notation for 1-(2,2-dihydroxyethyl)-1,3-dimethylurea?
The canonical SMILES for 1-(2,2-dihydroxyethyl)-1,3-dimethylurea is CNC(=O)N(C)CC(O)O.
What is the InChIKey of 1-(2,2-dihydroxyethyl)-1,3-dimethylurea?
The InChIKey is RAKKOSVBCSYSJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2O3/c1-6-5(10)7(2)3-4(8)9/h4,8-9H,3H2,1-2H3,(H,6,10).
What are the key properties of 1-(2,2-dihydroxyethyl)-1,3-dimethylurea?
1-(2,2-dihydroxyethyl)-1,3-dimethylurea has a molecular weight of 148.16 g/mol, XLogP of -1.43, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dihydroxyethyl)-1,3-dimethylurea is sourced from PubChem (CID 87957060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).