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

C9H18N2O2 — CID 108910684

IUPAC3-[(E)-but-1-enyl]-1-ethyl-1-(2-hydroxyethyl)urea
SMILESCC/C=C/NC(=O)N(CC)CCO
InChIInChI=1S/C9H18N2O2/c1-3-5-6-10-9(13)11(4-2)7-8-12/h5-6,12H,3-4,7-8H2,1-2H3,(H,10,13)/b6-5+
InChIKeyUKYPDNVERQDVGH-AATRIKPKSA-N
MW186.25 g/mol
LogP0.93
Rot. Bonds5

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

3-[(E)-but-1-enyl]-1-ethyl-1-(2-hydroxyethyl)urea (PubChem CID 108910684) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is 3-[(E)-but-1-enyl]-1-ethyl-1-(2-hydroxyethyl)urea.

Molecular Properties

Compound Name3-[(E)-but-1-enyl]-1-ethyl-1-(2-hydroxyethyl)urea
PubChem CID108910684
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC Name3-[(E)-but-1-enyl]-1-ethyl-1-(2-hydroxyethyl)urea
SMILESCC/C=C/NC(=O)N(CC)CCO
InChIInChI=1S/C9H18N2O2/c1-3-5-6-10-9(13)11(4-2)7-8-12/h5-6,12H,3-4,7-8H2,1-2H3,(H,10,13)/b6-5+
InChIKeyUKYPDNVERQDVGH-AATRIKPKSA-N
XLogP0.93
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(E)-but-1-enyl]-1-ethyl-1-(2-hydroxyethyl)urea?
The IUPAC name of 3-[(E)-but-1-enyl]-1-ethyl-1-(2-hydroxyethyl)urea (CID 108910684) is 3-[(E)-but-1-enyl]-1-ethyl-1-(2-hydroxyethyl)urea.
What is the SMILES notation for 3-[(E)-but-1-enyl]-1-ethyl-1-(2-hydroxyethyl)urea?
The canonical SMILES for 3-[(E)-but-1-enyl]-1-ethyl-1-(2-hydroxyethyl)urea is CC/C=C/NC(=O)N(CC)CCO.
What is the InChIKey of 3-[(E)-but-1-enyl]-1-ethyl-1-(2-hydroxyethyl)urea?
The InChIKey is UKYPDNVERQDVGH-AATRIKPKSA-N. The full InChI is InChI=1S/C9H18N2O2/c1-3-5-6-10-9(13)11(4-2)7-8-12/h5-6,12H,3-4,7-8H2,1-2H3,(H,10,13)/b6-5+.
What are the key properties of 3-[(E)-but-1-enyl]-1-ethyl-1-(2-hydroxyethyl)urea?
3-[(E)-but-1-enyl]-1-ethyl-1-(2-hydroxyethyl)urea has a molecular weight of 186.25 g/mol, XLogP of 0.93, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-but-1-enyl]-1-ethyl-1-(2-hydroxyethyl)urea is sourced from PubChem (CID 108910684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).