1-(2-hydroxyethyl)-1-methyl-3-(2-methylprop-1-enyl)urea

C8H16N2O2 — CID 108909957

IUPAC1-(2-hydroxyethyl)-1-methyl-3-(2-methylprop-1-enyl)urea
SMILESCC(C)=CNC(=O)N(C)CCO
InChIInChI=1S/C8H16N2O2/c1-7(2)6-9-8(12)10(3)4-5-11/h6,11H,4-5H2,1-3H3,(H,9,12)
InChIKeyUJZYMUOQOSNRDF-UHFFFAOYSA-N
MW172.23 g/mol
LogP0.54
Rot. Bonds3

About 1-(2-hydroxyethyl)-1-methyl-3-(2-methylprop-1-enyl)urea

1-(2-hydroxyethyl)-1-methyl-3-(2-methylprop-1-enyl)urea (PubChem CID 108909957) has the molecular formula C8H16N2O2 and a molecular weight of 172.23 g/mol. Its IUPAC name is 1-(2-hydroxyethyl)-1-methyl-3-(2-methylprop-1-enyl)urea.

Molecular Properties

Compound Name1-(2-hydroxyethyl)-1-methyl-3-(2-methylprop-1-enyl)urea
PubChem CID108909957
Molecular FormulaC8H16N2O2
Molecular Weight172.23 g/mol
Exact Mass172.12
IUPAC Name1-(2-hydroxyethyl)-1-methyl-3-(2-methylprop-1-enyl)urea
SMILESCC(C)=CNC(=O)N(C)CCO
InChIInChI=1S/C8H16N2O2/c1-7(2)6-9-8(12)10(3)4-5-11/h6,11H,4-5H2,1-3H3,(H,9,12)
InChIKeyUJZYMUOQOSNRDF-UHFFFAOYSA-N
XLogP0.54
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1,1-Bis(2-hydroxyethyl)-3-[2-(2-methylprop-2-enylperoxy)ethyl]urea
CID 20603625
1,1-bis(2-hydroxyethyl)-3-[(E)-prop-1-enyl]urea
CID 108909462
1-ethyl-1-(2-hydroxyethyl)-3-[(E)-prop-1-enyl]urea
CID 108909571
1-(2-hydroxyethyl)-1-methyl-3-[(E)-prop-1-enyl]urea
CID 108909586
1-(2-Methoxyethyl)-3-(2-methylprop-1-enyl)urea
CID 108909803
1,1-Bis(2-hydroxyethyl)-3-(2-methylprop-1-enyl)urea
CID 108909832
1-(2-Hydroxypropyl)-3-(2-methylprop-1-enyl)urea
CID 108909908
4-(2-hydroxyethyl)-N-(2-methylprop-1-enyl)piperazine-1-carboxamide
CID 108909922
1-(3-Hydroxypropyl)-3-(2-methylprop-1-enyl)urea
CID 108909933
1-[2-(2-Hydroxyethoxy)ethyl]-3-(2-methylprop-1-enyl)urea
CID 108909934
1-Ethyl-1-(2-hydroxyethyl)-3-(2-methylprop-1-enyl)urea
CID 108909941
1-(1-Hydroxybutan-2-yl)-3-(2-methylprop-1-enyl)urea
CID 108909953

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyethyl)-1-methyl-3-(2-methylprop-1-enyl)urea?
The IUPAC name of 1-(2-hydroxyethyl)-1-methyl-3-(2-methylprop-1-enyl)urea (CID 108909957) is 1-(2-hydroxyethyl)-1-methyl-3-(2-methylprop-1-enyl)urea.
What is the SMILES notation for 1-(2-hydroxyethyl)-1-methyl-3-(2-methylprop-1-enyl)urea?
The canonical SMILES for 1-(2-hydroxyethyl)-1-methyl-3-(2-methylprop-1-enyl)urea is CC(C)=CNC(=O)N(C)CCO.
What is the InChIKey of 1-(2-hydroxyethyl)-1-methyl-3-(2-methylprop-1-enyl)urea?
The InChIKey is UJZYMUOQOSNRDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O2/c1-7(2)6-9-8(12)10(3)4-5-11/h6,11H,4-5H2,1-3H3,(H,9,12).
What are the key properties of 1-(2-hydroxyethyl)-1-methyl-3-(2-methylprop-1-enyl)urea?
1-(2-hydroxyethyl)-1-methyl-3-(2-methylprop-1-enyl)urea has a molecular weight of 172.23 g/mol, XLogP of 0.54, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyethyl)-1-methyl-3-(2-methylprop-1-enyl)urea is sourced from PubChem (CID 108909957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).