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

C8H16N2O2 — CID 108911085

IUPAC1-(2-hydroxyethyl)-3-[(E)-3-methylbut-1-enyl]urea
SMILESCC(C)/C=C/NC(=O)NCCO
InChIInChI=1S/C8H16N2O2/c1-7(2)3-4-9-8(12)10-5-6-11/h3-4,7,11H,5-6H2,1-2H3,(H2,9,10,12)/b4-3+
InChIKeyYGUVSZQQBAAVPA-ONEGZZNKSA-N
MW172.23 g/mol
LogP0.45
Rot. Bonds4

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

1-(2-hydroxyethyl)-3-[(E)-3-methylbut-1-enyl]urea (PubChem CID 108911085) has the molecular formula C8H16N2O2 and a molecular weight of 172.23 g/mol. Its IUPAC name is 1-(2-hydroxyethyl)-3-[(E)-3-methylbut-1-enyl]urea.

Molecular Properties

Compound Name1-(2-hydroxyethyl)-3-[(E)-3-methylbut-1-enyl]urea
PubChem CID108911085
Molecular FormulaC8H16N2O2
Molecular Weight172.23 g/mol
Exact Mass172.12
IUPAC Name1-(2-hydroxyethyl)-3-[(E)-3-methylbut-1-enyl]urea
SMILESCC(C)/C=C/NC(=O)NCCO
InChIInChI=1S/C8H16N2O2/c1-7(2)3-4-9-8(12)10-5-6-11/h3-4,7,11H,5-6H2,1-2H3,(H2,9,10,12)/b4-3+
InChIKeyYGUVSZQQBAAVPA-ONEGZZNKSA-N
XLogP0.45
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 50.45
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-[(E)-3-methylbut-1-enyl]urea?
The IUPAC name of 1-(2-hydroxyethyl)-3-[(E)-3-methylbut-1-enyl]urea (CID 108911085) is 1-(2-hydroxyethyl)-3-[(E)-3-methylbut-1-enyl]urea.
What is the SMILES notation for 1-(2-hydroxyethyl)-3-[(E)-3-methylbut-1-enyl]urea?
The canonical SMILES for 1-(2-hydroxyethyl)-3-[(E)-3-methylbut-1-enyl]urea is CC(C)/C=C/NC(=O)NCCO.
What is the InChIKey of 1-(2-hydroxyethyl)-3-[(E)-3-methylbut-1-enyl]urea?
The InChIKey is YGUVSZQQBAAVPA-ONEGZZNKSA-N. The full InChI is InChI=1S/C8H16N2O2/c1-7(2)3-4-9-8(12)10-5-6-11/h3-4,7,11H,5-6H2,1-2H3,(H2,9,10,12)/b4-3+.
What are the key properties of 1-(2-hydroxyethyl)-3-[(E)-3-methylbut-1-enyl]urea?
1-(2-hydroxyethyl)-3-[(E)-3-methylbut-1-enyl]urea has a molecular weight of 172.23 g/mol, XLogP of 0.45, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyethyl)-3-[(E)-3-methylbut-1-enyl]urea is sourced from PubChem (CID 108911085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).