3-cyclobutyl-1-(2-hydroxyethyl)-1-prop-2-enylurea

C10H18N2O2 — CID 115642253

IUPAC3-cyclobutyl-1-(2-hydroxyethyl)-1-prop-2-enylurea
SMILESC=CCN(CCO)C(=O)NC1CCC1
InChIInChI=1S/C10H18N2O2/c1-2-6-12(7-8-13)10(14)11-9-4-3-5-9/h2,9,13H,1,3-8H2,(H,11,14)
InChIKeyAXOXGJWQWXURET-UHFFFAOYSA-N
MW198.27 g/mol
LogP0.73
Rot. Bonds5

About 3-cyclobutyl-1-(2-hydroxyethyl)-1-prop-2-enylurea

3-cyclobutyl-1-(2-hydroxyethyl)-1-prop-2-enylurea (PubChem CID 115642253) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is 3-cyclobutyl-1-(2-hydroxyethyl)-1-prop-2-enylurea.

Molecular Properties

Compound Name3-cyclobutyl-1-(2-hydroxyethyl)-1-prop-2-enylurea
PubChem CID115642253
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC Name3-cyclobutyl-1-(2-hydroxyethyl)-1-prop-2-enylurea
SMILESC=CCN(CCO)C(=O)NC1CCC1
InChIInChI=1S/C10H18N2O2/c1-2-6-12(7-8-13)10(14)11-9-4-3-5-9/h2,9,13H,1,3-8H2,(H,11,14)
InChIKeyAXOXGJWQWXURET-UHFFFAOYSA-N
XLogP0.73
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-cyclopentyl-1,1-bis(prop-2-enyl)urea
CID 108902716
3-(3-ethylsulfinylcyclohexyl)-1-(2-hydroxyethyl)-1-prop-2-enylurea
CID 111841052
3-[(1R,2S)-2-cyclohexylcyclopropyl]-1-(2-hydroxyethyl)-1-prop-2-enylurea
CID 97019741
3-(3-ethylsulfanylcyclopentyl)-1-(2-hydroxyethyl)-1-prop-2-enylurea
CID 111509144
1-(2-hydroxyethyl)-3-(2-propan-2-ylcyclohexyl)-1-prop-2-enylurea
CID 111424305
N-cyclopentyl-2-[2-hydroxyethyl(prop-2-enyl)amino]acetamide
CID 111423369
1-(2-hydroxyethyl)-3-propan-2-yl-1-prop-2-enylurea
CID 115633504
3-[1-(3-fluorophenyl)piperidin-3-yl]-1-(2-hydroxyethyl)-1-prop-2-enylurea
CID 111424362
ethyl 2-[cyclopentylcarbamoyl(prop-2-enyl)amino]acetate
CID 113331353
3-(2,3-dihydro-1H-inden-1-yl)-1-(2-hydroxyethyl)-1-prop-2-enylurea
CID 111424123
3-[(4-chlorophenyl)-cyclobutylmethyl]-1-(2-hydroxyethyl)-1-prop-2-enylurea
CID 111424309
1-(2-hydroxyethyl)-3-(1-prop-2-enylpiperidin-4-yl)-1-propylurea
CID 111106533

Frequently Asked Questions

What is the IUPAC name of 3-cyclobutyl-1-(2-hydroxyethyl)-1-prop-2-enylurea?
The IUPAC name of 3-cyclobutyl-1-(2-hydroxyethyl)-1-prop-2-enylurea (CID 115642253) is 3-cyclobutyl-1-(2-hydroxyethyl)-1-prop-2-enylurea.
What is the SMILES notation for 3-cyclobutyl-1-(2-hydroxyethyl)-1-prop-2-enylurea?
The canonical SMILES for 3-cyclobutyl-1-(2-hydroxyethyl)-1-prop-2-enylurea is C=CCN(CCO)C(=O)NC1CCC1.
What is the InChIKey of 3-cyclobutyl-1-(2-hydroxyethyl)-1-prop-2-enylurea?
The InChIKey is AXOXGJWQWXURET-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2/c1-2-6-12(7-8-13)10(14)11-9-4-3-5-9/h2,9,13H,1,3-8H2,(H,11,14).
What are the key properties of 3-cyclobutyl-1-(2-hydroxyethyl)-1-prop-2-enylurea?
3-cyclobutyl-1-(2-hydroxyethyl)-1-prop-2-enylurea has a molecular weight of 198.27 g/mol, XLogP of 0.73, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclobutyl-1-(2-hydroxyethyl)-1-prop-2-enylurea is sourced from PubChem (CID 115642253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).