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

C10H20N2O2 — CID 108911057

IUPAC1-ethyl-1-(2-hydroxyethyl)-3-[(E)-3-methylbut-1-enyl]urea
SMILESCCN(CCO)C(=O)N/C=C/C(C)C
InChIInChI=1S/C10H20N2O2/c1-4-12(7-8-13)10(14)11-6-5-9(2)3/h5-6,9,13H,4,7-8H2,1-3H3,(H,11,14)/b6-5+
InChIKeyROAUWQRIHWRCPZ-AATRIKPKSA-N
MW200.28 g/mol
LogP1.18
Rot. Bonds5

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

1-ethyl-1-(2-hydroxyethyl)-3-[(E)-3-methylbut-1-enyl]urea (PubChem CID 108911057) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is 1-ethyl-1-(2-hydroxyethyl)-3-[(E)-3-methylbut-1-enyl]urea.

Molecular Properties

Compound Name1-ethyl-1-(2-hydroxyethyl)-3-[(E)-3-methylbut-1-enyl]urea
PubChem CID108911057
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Name1-ethyl-1-(2-hydroxyethyl)-3-[(E)-3-methylbut-1-enyl]urea
SMILESCCN(CCO)C(=O)N/C=C/C(C)C
InChIInChI=1S/C10H20N2O2/c1-4-12(7-8-13)10(14)11-6-5-9(2)3/h5-6,9,13H,4,7-8H2,1-3H3,(H,11,14)/b6-5+
InChIKeyROAUWQRIHWRCPZ-AATRIKPKSA-N
XLogP1.18
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-1-(2-hydroxyethyl)-3-[(E)-3-methylbut-1-enyl]urea?
The IUPAC name of 1-ethyl-1-(2-hydroxyethyl)-3-[(E)-3-methylbut-1-enyl]urea (CID 108911057) is 1-ethyl-1-(2-hydroxyethyl)-3-[(E)-3-methylbut-1-enyl]urea.
What is the SMILES notation for 1-ethyl-1-(2-hydroxyethyl)-3-[(E)-3-methylbut-1-enyl]urea?
The canonical SMILES for 1-ethyl-1-(2-hydroxyethyl)-3-[(E)-3-methylbut-1-enyl]urea is CCN(CCO)C(=O)N/C=C/C(C)C.
What is the InChIKey of 1-ethyl-1-(2-hydroxyethyl)-3-[(E)-3-methylbut-1-enyl]urea?
The InChIKey is ROAUWQRIHWRCPZ-AATRIKPKSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-4-12(7-8-13)10(14)11-6-5-9(2)3/h5-6,9,13H,4,7-8H2,1-3H3,(H,11,14)/b6-5+.
What are the key properties of 1-ethyl-1-(2-hydroxyethyl)-3-[(E)-3-methylbut-1-enyl]urea?
1-ethyl-1-(2-hydroxyethyl)-3-[(E)-3-methylbut-1-enyl]urea has a molecular weight of 200.28 g/mol, XLogP of 1.18, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-1-(2-hydroxyethyl)-3-[(E)-3-methylbut-1-enyl]urea is sourced from PubChem (CID 108911057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).