[1-(dimethylamino)-2-oxoethyl]urea

C5H11N3O2 — CID 139354095

IUPAC[1-(dimethylamino)-2-oxoethyl]urea
SMILESCN(C)C(C=O)NC(N)=O
InChIInChI=1S/C5H11N3O2/c1-8(2)4(3-9)7-5(6)10/h3-4H,1-2H3,(H3,6,7,10)
InChIKeySSRXKCVDGOVUPG-UHFFFAOYSA-N
MW145.16 g/mol
LogP-1.26
Rot. Bonds3

About [1-(dimethylamino)-2-oxoethyl]urea

[1-(dimethylamino)-2-oxoethyl]urea (PubChem CID 139354095) has the molecular formula C5H11N3O2 and a molecular weight of 145.16 g/mol. Its IUPAC name is [1-(dimethylamino)-2-oxoethyl]urea.

Molecular Properties

Compound Name[1-(dimethylamino)-2-oxoethyl]urea
PubChem CID139354095
Molecular FormulaC5H11N3O2
Molecular Weight145.16 g/mol
Exact Mass145.09
IUPAC Name[1-(dimethylamino)-2-oxoethyl]urea
SMILESCN(C)C(C=O)NC(N)=O
InChIInChI=1S/C5H11N3O2/c1-8(2)4(3-9)7-5(6)10/h3-4H,1-2H3,(H3,6,7,10)
InChIKeySSRXKCVDGOVUPG-UHFFFAOYSA-N
XLogP-1.26
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.16
LogP ≤ 5-1.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'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-(dimethylamino)-2-oxoethyl]urea?
The IUPAC name of [1-(dimethylamino)-2-oxoethyl]urea (CID 139354095) is [1-(dimethylamino)-2-oxoethyl]urea.
What is the SMILES notation for [1-(dimethylamino)-2-oxoethyl]urea?
The canonical SMILES for [1-(dimethylamino)-2-oxoethyl]urea is CN(C)C(C=O)NC(N)=O.
What is the InChIKey of [1-(dimethylamino)-2-oxoethyl]urea?
The InChIKey is SSRXKCVDGOVUPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N3O2/c1-8(2)4(3-9)7-5(6)10/h3-4H,1-2H3,(H3,6,7,10).
What are the key properties of [1-(dimethylamino)-2-oxoethyl]urea?
[1-(dimethylamino)-2-oxoethyl]urea has a molecular weight of 145.16 g/mol, XLogP of -1.26, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(dimethylamino)-2-oxoethyl]urea is sourced from PubChem (CID 139354095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).