1-(2-hydroxyethyl)-3-(2-oxo-2-pyrrolidin-1-ylethyl)-1-prop-2-enylurea

C12H21N3O3 — CID 86964529

IUPAC1-(2-hydroxyethyl)-3-(2-oxo-2-pyrrolidin-1-ylethyl)-1-prop-2-enylurea
SMILESC=CCN(CCO)C(=O)NCC(=O)N1CCCC1
InChIInChI=1S/C12H21N3O3/c1-2-5-15(8-9-16)12(18)13-10-11(17)14-6-3-4-7-14/h2,16H,1,3-10H2,(H,13,18)
InChIKeyMCGLRKHSUSUENL-UHFFFAOYSA-N
MW255.32 g/mol
LogP-0.20
Rot. Bonds6

About 1-(2-hydroxyethyl)-3-(2-oxo-2-pyrrolidin-1-ylethyl)-1-prop-2-enylurea

1-(2-hydroxyethyl)-3-(2-oxo-2-pyrrolidin-1-ylethyl)-1-prop-2-enylurea (PubChem CID 86964529) has the molecular formula C12H21N3O3 and a molecular weight of 255.32 g/mol. Its IUPAC name is 1-(2-hydroxyethyl)-3-(2-oxo-2-pyrrolidin-1-ylethyl)-1-prop-2-enylurea.

Molecular Properties

Compound Name1-(2-hydroxyethyl)-3-(2-oxo-2-pyrrolidin-1-ylethyl)-1-prop-2-enylurea
PubChem CID86964529
Molecular FormulaC12H21N3O3
Molecular Weight255.32 g/mol
Exact Mass255.16
IUPAC Name1-(2-hydroxyethyl)-3-(2-oxo-2-pyrrolidin-1-ylethyl)-1-prop-2-enylurea
SMILESC=CCN(CCO)C(=O)NCC(=O)N1CCCC1
InChIInChI=1S/C12H21N3O3/c1-2-5-15(8-9-16)12(18)13-10-11(17)14-6-3-4-7-14/h2,16H,1,3-10H2,(H,13,18)
InChIKeyMCGLRKHSUSUENL-UHFFFAOYSA-N
XLogP-0.20
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 5-0.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(2-hydroxyethyl)-3-propan-2-yl-1-prop-2-enylurea
CID 115633504
3-cyclobutyl-1-(2-hydroxyethyl)-1-prop-2-enylurea
CID 115642253
N-(3-oxo-3-pyrrolidin-1-ylpropyl)-N-prop-2-enylacetamide
CID 113115517
2-[(2-amino-2-oxoethyl)-[(2-oxo-2-pyrrolidin-1-ylethyl)carbamoyl]amino]acetic acid
CID 107439195
2-oxo-N,N-bis(prop-2-enyl)-2-pyrrolidin-1-ylacetamide
CID 108516735
3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]-1-(2-hydroxyethyl)-1-prop-2-enylurea
CID 111424183
2-[cyclopropyl(2-hydroxyethyl)amino]-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide
CID 60510656
1-(2-hydroxyethyl)-3-[(4-hydroxyphenyl)methyl]-1-prop-2-enylurea
CID 111424142
1-(2-hydroxyethyl)-3-(2-propan-2-ylcyclohexyl)-1-prop-2-enylurea
CID 111424305
3-[[2-(azepan-1-yl)-2-oxoethyl]-prop-2-enylamino]propanoic acid
CID 82327043
(2R)-2-[[2-hydroxyethyl(prop-2-enyl)carbamoyl]amino]-3-methylbutanoic acid
CID 104869582
N-prop-2-enyl-N-propylpiperidine-1-carboxamide
CID 116657075

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyethyl)-3-(2-oxo-2-pyrrolidin-1-ylethyl)-1-prop-2-enylurea?
The IUPAC name of 1-(2-hydroxyethyl)-3-(2-oxo-2-pyrrolidin-1-ylethyl)-1-prop-2-enylurea (CID 86964529) is 1-(2-hydroxyethyl)-3-(2-oxo-2-pyrrolidin-1-ylethyl)-1-prop-2-enylurea.
What is the SMILES notation for 1-(2-hydroxyethyl)-3-(2-oxo-2-pyrrolidin-1-ylethyl)-1-prop-2-enylurea?
The canonical SMILES for 1-(2-hydroxyethyl)-3-(2-oxo-2-pyrrolidin-1-ylethyl)-1-prop-2-enylurea is C=CCN(CCO)C(=O)NCC(=O)N1CCCC1.
What is the InChIKey of 1-(2-hydroxyethyl)-3-(2-oxo-2-pyrrolidin-1-ylethyl)-1-prop-2-enylurea?
The InChIKey is MCGLRKHSUSUENL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O3/c1-2-5-15(8-9-16)12(18)13-10-11(17)14-6-3-4-7-14/h2,16H,1,3-10H2,(H,13,18).
What are the key properties of 1-(2-hydroxyethyl)-3-(2-oxo-2-pyrrolidin-1-ylethyl)-1-prop-2-enylurea?
1-(2-hydroxyethyl)-3-(2-oxo-2-pyrrolidin-1-ylethyl)-1-prop-2-enylurea has a molecular weight of 255.32 g/mol, XLogP of -0.20, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyethyl)-3-(2-oxo-2-pyrrolidin-1-ylethyl)-1-prop-2-enylurea is sourced from PubChem (CID 86964529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).