1,1-bis(2-hydroxyethyl)-3-[(E)-3-methylbut-1-enyl]urea

C10H20N2O3 — CID 108910947

IUPAC1,1-bis(2-hydroxyethyl)-3-[(E)-3-methylbut-1-enyl]urea
SMILESCC(C)/C=C/NC(=O)N(CCO)CCO
InChIInChI=1S/C10H20N2O3/c1-9(2)3-4-11-10(15)12(5-7-13)6-8-14/h3-4,9,13-14H,5-8H2,1-2H3,(H,11,15)/b4-3+
InChIKeySVOMNPQIQAGMSE-ONEGZZNKSA-N
MW216.28 g/mol
LogP0.15
Rot. Bonds6

About 1,1-bis(2-hydroxyethyl)-3-[(E)-3-methylbut-1-enyl]urea

1,1-bis(2-hydroxyethyl)-3-[(E)-3-methylbut-1-enyl]urea (PubChem CID 108910947) has the molecular formula C10H20N2O3 and a molecular weight of 216.28 g/mol. Its IUPAC name is 1,1-bis(2-hydroxyethyl)-3-[(E)-3-methylbut-1-enyl]urea.

Molecular Properties

Compound Name1,1-bis(2-hydroxyethyl)-3-[(E)-3-methylbut-1-enyl]urea
PubChem CID108910947
Molecular FormulaC10H20N2O3
Molecular Weight216.28 g/mol
Exact Mass216.15
IUPAC Name1,1-bis(2-hydroxyethyl)-3-[(E)-3-methylbut-1-enyl]urea
SMILESCC(C)/C=C/NC(=O)N(CCO)CCO
InChIInChI=1S/C10H20N2O3/c1-9(2)3-4-11-10(15)12(5-7-13)6-8-14/h3-4,9,13-14H,5-8H2,1-2H3,(H,11,15)/b4-3+
InChIKeySVOMNPQIQAGMSE-ONEGZZNKSA-N
XLogP0.15
TPSA72.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 50.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,1-bis(2-hydroxyethyl)-3-[(E)-3-methylbut-1-enyl]urea?
The IUPAC name of 1,1-bis(2-hydroxyethyl)-3-[(E)-3-methylbut-1-enyl]urea (CID 108910947) is 1,1-bis(2-hydroxyethyl)-3-[(E)-3-methylbut-1-enyl]urea.
What is the SMILES notation for 1,1-bis(2-hydroxyethyl)-3-[(E)-3-methylbut-1-enyl]urea?
The canonical SMILES for 1,1-bis(2-hydroxyethyl)-3-[(E)-3-methylbut-1-enyl]urea is CC(C)/C=C/NC(=O)N(CCO)CCO.
What is the InChIKey of 1,1-bis(2-hydroxyethyl)-3-[(E)-3-methylbut-1-enyl]urea?
The InChIKey is SVOMNPQIQAGMSE-ONEGZZNKSA-N. The full InChI is InChI=1S/C10H20N2O3/c1-9(2)3-4-11-10(15)12(5-7-13)6-8-14/h3-4,9,13-14H,5-8H2,1-2H3,(H,11,15)/b4-3+.
What are the key properties of 1,1-bis(2-hydroxyethyl)-3-[(E)-3-methylbut-1-enyl]urea?
1,1-bis(2-hydroxyethyl)-3-[(E)-3-methylbut-1-enyl]urea has a molecular weight of 216.28 g/mol, XLogP of 0.15, 6 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-[(E)-3-methylbut-1-enyl]urea is sourced from PubChem (CID 108910947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).