1-[2-(2-methylprop-2-enoxy)ethyl]-3-(oxolan-3-yl)urea

C11H20N2O3 — CID 115759183

IUPAC1-[2-(2-methylprop-2-enoxy)ethyl]-3-(oxolan-3-yl)urea
SMILESC=C(C)COCCNC(=O)NC1CCOC1
InChIInChI=1S/C11H20N2O3/c1-9(2)7-16-6-4-12-11(14)13-10-3-5-15-8-10/h10H,1,3-8H2,2H3,(H2,12,13,14)
InChIKeyJCGOIDPZGINEAS-UHFFFAOYSA-N
MW228.29 g/mol
LogP0.67
Rot. Bonds6

About 1-[2-(2-methylprop-2-enoxy)ethyl]-3-(oxolan-3-yl)urea

1-[2-(2-methylprop-2-enoxy)ethyl]-3-(oxolan-3-yl)urea (PubChem CID 115759183) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is 1-[2-(2-methylprop-2-enoxy)ethyl]-3-(oxolan-3-yl)urea.

Molecular Properties

Compound Name1-[2-(2-methylprop-2-enoxy)ethyl]-3-(oxolan-3-yl)urea
PubChem CID115759183
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Name1-[2-(2-methylprop-2-enoxy)ethyl]-3-(oxolan-3-yl)urea
SMILESC=C(C)COCCNC(=O)NC1CCOC1
InChIInChI=1S/C11H20N2O3/c1-9(2)7-16-6-4-12-11(14)13-10-3-5-15-8-10/h10H,1,3-8H2,2H3,(H2,12,13,14)
InChIKeyJCGOIDPZGINEAS-UHFFFAOYSA-N
XLogP0.67
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(oxolan-3-ylcarbamoylamino)ethyl]acetamide
CID 115759237
1-(oxolan-3-yl)-3-(3-propoxypropyl)urea
CID 116657253
1-butyl-3-(oxolan-3-yl)urea
CID 115755742
N-[2-(2-methylprop-2-enoxy)ethyl]oxane-3-carboxamide
CID 115700210
1-[(1S,2S)-2-methylcyclopentyl]-3-[2-(2-methylprop-2-enoxy)ethyl]urea
CID 97092212
1-(2-methylcyclopentyl)-3-[2-(2-methylprop-2-enoxy)ethyl]urea
CID 71917531
3-methyl-4-[2-(2-methylprop-2-enoxy)ethylcarbamoylamino]oxolane-3-carboxylic acid
CID 114469245
1-(2-chloroprop-2-enyl)-3-(oxolan-3-yl)urea
CID 115759096
2-[2-(2-methylprop-2-enoxy)ethylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 114469505
1-[2-(3-methylphenoxy)ethyl]-3-(oxolan-3-yl)urea
CID 115758238
1-(4-aminopentyl)-3-(oxolan-3-yl)urea
CID 106125032
1-[(1-ethylpiperidin-4-yl)methyl]-3-(oxolan-3-yl)urea
CID 113321980

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methylprop-2-enoxy)ethyl]-3-(oxolan-3-yl)urea?
The IUPAC name of 1-[2-(2-methylprop-2-enoxy)ethyl]-3-(oxolan-3-yl)urea (CID 115759183) is 1-[2-(2-methylprop-2-enoxy)ethyl]-3-(oxolan-3-yl)urea.
What is the SMILES notation for 1-[2-(2-methylprop-2-enoxy)ethyl]-3-(oxolan-3-yl)urea?
The canonical SMILES for 1-[2-(2-methylprop-2-enoxy)ethyl]-3-(oxolan-3-yl)urea is C=C(C)COCCNC(=O)NC1CCOC1.
What is the InChIKey of 1-[2-(2-methylprop-2-enoxy)ethyl]-3-(oxolan-3-yl)urea?
The InChIKey is JCGOIDPZGINEAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-9(2)7-16-6-4-12-11(14)13-10-3-5-15-8-10/h10H,1,3-8H2,2H3,(H2,12,13,14).
What are the key properties of 1-[2-(2-methylprop-2-enoxy)ethyl]-3-(oxolan-3-yl)urea?
1-[2-(2-methylprop-2-enoxy)ethyl]-3-(oxolan-3-yl)urea has a molecular weight of 228.29 g/mol, XLogP of 0.67, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methylprop-2-enoxy)ethyl]-3-(oxolan-3-yl)urea is sourced from PubChem (CID 115759183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).