1-(2-hydroxyethyl)-3-propan-2-yl-1-prop-2-enylurea

C9H18N2O2 — CID 115633504

IUPAC1-(2-hydroxyethyl)-3-propan-2-yl-1-prop-2-enylurea
SMILESC=CCN(CCO)C(=O)NC(C)C
InChIInChI=1S/C9H18N2O2/c1-4-5-11(6-7-12)9(13)10-8(2)3/h4,8,12H,1,5-7H2,2-3H3,(H,10,13)
InChIKeyIQYTTZPSLHJLQC-UHFFFAOYSA-N
MW186.25 g/mol
LogP0.58
Rot. Bonds5

About 1-(2-hydroxyethyl)-3-propan-2-yl-1-prop-2-enylurea

1-(2-hydroxyethyl)-3-propan-2-yl-1-prop-2-enylurea (PubChem CID 115633504) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is 1-(2-hydroxyethyl)-3-propan-2-yl-1-prop-2-enylurea.

Molecular Properties

Compound Name1-(2-hydroxyethyl)-3-propan-2-yl-1-prop-2-enylurea
PubChem CID115633504
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC Name1-(2-hydroxyethyl)-3-propan-2-yl-1-prop-2-enylurea
SMILESC=CCN(CCO)C(=O)NC(C)C
InChIInChI=1S/C9H18N2O2/c1-4-5-11(6-7-12)9(13)10-8(2)3/h4,8,12H,1,5-7H2,2-3H3,(H,10,13)
InChIKeyIQYTTZPSLHJLQC-UHFFFAOYSA-N
XLogP0.58
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 ≤ 50.58
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

(2R)-2-[[2-hydroxyethyl(prop-2-enyl)carbamoyl]amino]-3-methylbutanoic acid
CID 104869582
1-(2-hydroxyethyl)-3-(2-propan-2-ylcyclohexyl)-1-prop-2-enylurea
CID 111424305
3-[1-(furan-2-yl)ethyl]-1-(2-hydroxyethyl)-1-prop-2-enylurea
CID 111424113
1-butyl-1-(2-hydroxyethyl)-3-propan-2-ylurea
CID 60781183
(2S)-2-amino-N-(2-hydroxyethyl)-N-prop-2-enylpropanamide
CID 104869516
N-(2-hydroxyethyl)-N-prop-2-enylacetamide
CID 84572947
3-cyclobutyl-1-(2-hydroxyethyl)-1-prop-2-enylurea
CID 115642253
3-[1-(4-fluorophenyl)-2,2-dimethylpropyl]-1-(2-hydroxyethyl)-1-prop-2-enylurea
CID 111424205
3-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]-1-(2-hydroxyethyl)-1-prop-2-enylurea
CID 111509179
3-[1-(3-fluorophenyl)propan-2-yl]-1-(2-hydroxyethyl)-1-prop-2-enylurea
CID 111426948
3-[1-(3-chloro-4-fluorophenyl)ethyl]-1-(2-hydroxyethyl)-1-prop-2-enylurea
CID 111424240
1-(2-hydroxyethyl)-3-(2-oxo-2-pyrrolidin-1-ylethyl)-1-prop-2-enylurea
CID 86964529

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyethyl)-3-propan-2-yl-1-prop-2-enylurea?
The IUPAC name of 1-(2-hydroxyethyl)-3-propan-2-yl-1-prop-2-enylurea (CID 115633504) is 1-(2-hydroxyethyl)-3-propan-2-yl-1-prop-2-enylurea.
What is the SMILES notation for 1-(2-hydroxyethyl)-3-propan-2-yl-1-prop-2-enylurea?
The canonical SMILES for 1-(2-hydroxyethyl)-3-propan-2-yl-1-prop-2-enylurea is C=CCN(CCO)C(=O)NC(C)C.
What is the InChIKey of 1-(2-hydroxyethyl)-3-propan-2-yl-1-prop-2-enylurea?
The InChIKey is IQYTTZPSLHJLQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2/c1-4-5-11(6-7-12)9(13)10-8(2)3/h4,8,12H,1,5-7H2,2-3H3,(H,10,13).
What are the key properties of 1-(2-hydroxyethyl)-3-propan-2-yl-1-prop-2-enylurea?
1-(2-hydroxyethyl)-3-propan-2-yl-1-prop-2-enylurea has a molecular weight of 186.25 g/mol, XLogP of 0.58, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyethyl)-3-propan-2-yl-1-prop-2-enylurea is sourced from PubChem (CID 115633504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).