1,1-bis(2-hydroxyethyl)-3-(2-methylprop-1-enyl)urea

C9H18N2O3 — CID 108909832

IUPAC1,1-bis(2-hydroxyethyl)-3-(2-methylprop-1-enyl)urea
SMILESCC(C)=CNC(=O)N(CCO)CCO
InChIInChI=1S/C9H18N2O3/c1-8(2)7-10-9(14)11(3-5-12)4-6-13/h7,12-13H,3-6H2,1-2H3,(H,10,14)
InChIKeyWNUURHRSLRJJFY-UHFFFAOYSA-N
MW202.25 g/mol
LogP-0.09
Rot. Bonds5

About 1,1-bis(2-hydroxyethyl)-3-(2-methylprop-1-enyl)urea

1,1-bis(2-hydroxyethyl)-3-(2-methylprop-1-enyl)urea (PubChem CID 108909832) has the molecular formula C9H18N2O3 and a molecular weight of 202.25 g/mol. Its IUPAC name is 1,1-bis(2-hydroxyethyl)-3-(2-methylprop-1-enyl)urea.

Molecular Properties

Compound Name1,1-bis(2-hydroxyethyl)-3-(2-methylprop-1-enyl)urea
PubChem CID108909832
Molecular FormulaC9H18N2O3
Molecular Weight202.25 g/mol
Exact Mass202.13
IUPAC Name1,1-bis(2-hydroxyethyl)-3-(2-methylprop-1-enyl)urea
SMILESCC(C)=CNC(=O)N(CCO)CCO
InChIInChI=1S/C9H18N2O3/c1-8(2)7-10-9(14)11(3-5-12)4-6-13/h7,12-13H,3-6H2,1-2H3,(H,10,14)
InChIKeyWNUURHRSLRJJFY-UHFFFAOYSA-N
XLogP-0.09
TPSA72.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 5-0.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1,1-Bis(2-hydroxyethyl)-3-[2-(2-methylprop-2-enylperoxy)ethyl]urea
CID 20603625
[3-[Ethyl-[[ethyl(2-hydroxyethyl)amino]methyl]amino]-2-methyl-3-(methylamino)prop-1-enyl]azanium
CID 152834458
3-(2-hydroxyethyl)-4-methyl-1H-imidazol-2-one
CID 84013464
1-Ethyl-1-(2-hydroxyethyl)-3-prop-2-enylurea
CID 108486694
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-(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-Ethyl-1-(2-hydroxyethyl)-3-(2-methylprop-1-enyl)urea
CID 108909941

Frequently Asked Questions

What is the IUPAC name of 1,1-bis(2-hydroxyethyl)-3-(2-methylprop-1-enyl)urea?
The IUPAC name of 1,1-bis(2-hydroxyethyl)-3-(2-methylprop-1-enyl)urea (CID 108909832) is 1,1-bis(2-hydroxyethyl)-3-(2-methylprop-1-enyl)urea.
What is the SMILES notation for 1,1-bis(2-hydroxyethyl)-3-(2-methylprop-1-enyl)urea?
The canonical SMILES for 1,1-bis(2-hydroxyethyl)-3-(2-methylprop-1-enyl)urea is CC(C)=CNC(=O)N(CCO)CCO.
What is the InChIKey of 1,1-bis(2-hydroxyethyl)-3-(2-methylprop-1-enyl)urea?
The InChIKey is WNUURHRSLRJJFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O3/c1-8(2)7-10-9(14)11(3-5-12)4-6-13/h7,12-13H,3-6H2,1-2H3,(H,10,14).
What are the key properties of 1,1-bis(2-hydroxyethyl)-3-(2-methylprop-1-enyl)urea?
1,1-bis(2-hydroxyethyl)-3-(2-methylprop-1-enyl)urea has a molecular weight of 202.25 g/mol, XLogP of -0.09, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-bis(2-hydroxyethyl)-3-(2-methylprop-1-enyl)urea is sourced from PubChem (CID 108909832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).