1-(2-hydroxyethyl)-3-methylurea

C4H10N2O2 — CID 13415148

IUPAC1-(2-hydroxyethyl)-3-methylurea
SMILESCNC(=O)NCCO
InChIInChI=1S/C4H10N2O2/c1-5-4(8)6-2-3-7/h7H,2-3H2,1H3,(H2,5,6,8)
InChIKeyNLVGGTZDDAUPNY-UHFFFAOYSA-N
MW118.14 g/mol
LogP-1.09
Rot. Bonds2

About 1-(2-hydroxyethyl)-3-methylurea

1-(2-hydroxyethyl)-3-methylurea (PubChem CID 13415148) has the molecular formula C4H10N2O2 and a molecular weight of 118.14 g/mol. Its IUPAC name is 1-(2-hydroxyethyl)-3-methylurea.

Molecular Properties

Compound Name1-(2-hydroxyethyl)-3-methylurea
PubChem CID13415148
Molecular FormulaC4H10N2O2
Molecular Weight118.14 g/mol
Exact Mass118.07
IUPAC Name1-(2-hydroxyethyl)-3-methylurea
SMILESCNC(=O)NCCO
InChIInChI=1S/C4H10N2O2/c1-5-4(8)6-2-3-7/h7H,2-3H2,1H3,(H2,5,6,8)
InChIKeyNLVGGTZDDAUPNY-UHFFFAOYSA-N
XLogP-1.09
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.14
LogP ≤ 5-1.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyethyl)-3-methylurea?
The IUPAC name of 1-(2-hydroxyethyl)-3-methylurea (CID 13415148) is 1-(2-hydroxyethyl)-3-methylurea.
What is the SMILES notation for 1-(2-hydroxyethyl)-3-methylurea?
The canonical SMILES for 1-(2-hydroxyethyl)-3-methylurea is CNC(=O)NCCO.
What is the InChIKey of 1-(2-hydroxyethyl)-3-methylurea?
The InChIKey is NLVGGTZDDAUPNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10N2O2/c1-5-4(8)6-2-3-7/h7H,2-3H2,1H3,(H2,5,6,8).
What are the key properties of 1-(2-hydroxyethyl)-3-methylurea?
1-(2-hydroxyethyl)-3-methylurea has a molecular weight of 118.14 g/mol, XLogP of -1.09, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyethyl)-3-methylurea is sourced from PubChem (CID 13415148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).