1-[2-[(3-hydroxy-3-prop-2-enoxypropyl)amino]ethyl]imidazolidin-2-one

C11H21N3O3 — CID 130421996

IUPAC1-[2-[(3-hydroxy-3-prop-2-enoxypropyl)amino]ethyl]imidazolidin-2-one
SMILESC=CCOC(O)CCNCCN1CCNC1=O
InChIInChI=1S/C11H21N3O3/c1-2-9-17-10(15)3-4-12-5-7-14-8-6-13-11(14)16/h2,10,12,15H,1,3-9H2,(H,13,16)
InChIKeyUZYFELWJLNPERB-UHFFFAOYSA-N
MW243.31 g/mol
LogP-0.49
Rot. Bonds9

About 1-[2-[(3-hydroxy-3-prop-2-enoxypropyl)amino]ethyl]imidazolidin-2-one

1-[2-[(3-hydroxy-3-prop-2-enoxypropyl)amino]ethyl]imidazolidin-2-one (PubChem CID 130421996) has the molecular formula C11H21N3O3 and a molecular weight of 243.31 g/mol. Its IUPAC name is 1-[2-[(3-hydroxy-3-prop-2-enoxypropyl)amino]ethyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[2-[(3-hydroxy-3-prop-2-enoxypropyl)amino]ethyl]imidazolidin-2-one
PubChem CID130421996
Molecular FormulaC11H21N3O3
Molecular Weight243.31 g/mol
Exact Mass243.16
IUPAC Name1-[2-[(3-hydroxy-3-prop-2-enoxypropyl)amino]ethyl]imidazolidin-2-one
SMILESC=CCOC(O)CCNCCN1CCNC1=O
InChIInChI=1S/C11H21N3O3/c1-2-9-17-10(15)3-4-12-5-7-14-8-6-13-11(14)16/h2,10,12,15H,1,3-9H2,(H,13,16)
InChIKeyUZYFELWJLNPERB-UHFFFAOYSA-N
XLogP-0.49
TPSA73.83 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 5-0.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-[2-[(4-hydroxycyclohexyl)methylamino]ethyl]imidazolidin-2-one
CID 106133692
1-[2-(octylamino)ethyl]imidazolidin-2-one
CID 113337199
1-[2-[(4-methylcyclohexyl)methylamino]ethyl]imidazolidin-2-one
CID 63243893
1-[2-(1,3-dihydroxypropan-2-ylamino)ethyl]imidazolidin-2-one
CID 65313305
1-[2-[3-(dimethylamino)propylamino]ethyl]imidazolidin-2-one
CID 28583715
[2-oxo-2-[2-(2-oxoimidazolidin-1-yl)ethylamino]ethyl] prop-2-enoate
CID 23288492
1,1-dimethyl-3-[2-[2-(2-oxoimidazolidin-1-yl)ethylamino]ethyl]urea
CID 83121176
N-(2-methylpropyl)-2-[2-(2-oxoimidazolidin-1-yl)ethylamino]acetamide
CID 113405105
1-[2-(2-pyridin-4-ylethylamino)ethyl]imidazolidin-2-one
CID 60904196
ethane;1-[2-(methylamino)ethyl]imidazolidin-2-one
CID 142017156
1-[2-[(2-hydroxy-2-thiophen-3-ylethyl)amino]ethyl]imidazolidin-2-one
CID 106435320
N-[2-(2-oxoimidazolidin-1-yl)ethyl]carbamate
CID 18454819

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(3-hydroxy-3-prop-2-enoxypropyl)amino]ethyl]imidazolidin-2-one?
The IUPAC name of 1-[2-[(3-hydroxy-3-prop-2-enoxypropyl)amino]ethyl]imidazolidin-2-one (CID 130421996) is 1-[2-[(3-hydroxy-3-prop-2-enoxypropyl)amino]ethyl]imidazolidin-2-one.
What is the SMILES notation for 1-[2-[(3-hydroxy-3-prop-2-enoxypropyl)amino]ethyl]imidazolidin-2-one?
The canonical SMILES for 1-[2-[(3-hydroxy-3-prop-2-enoxypropyl)amino]ethyl]imidazolidin-2-one is C=CCOC(O)CCNCCN1CCNC1=O.
What is the InChIKey of 1-[2-[(3-hydroxy-3-prop-2-enoxypropyl)amino]ethyl]imidazolidin-2-one?
The InChIKey is UZYFELWJLNPERB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O3/c1-2-9-17-10(15)3-4-12-5-7-14-8-6-13-11(14)16/h2,10,12,15H,1,3-9H2,(H,13,16).
What are the key properties of 1-[2-[(3-hydroxy-3-prop-2-enoxypropyl)amino]ethyl]imidazolidin-2-one?
1-[2-[(3-hydroxy-3-prop-2-enoxypropyl)amino]ethyl]imidazolidin-2-one has a molecular weight of 243.31 g/mol, XLogP of -0.49, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(3-hydroxy-3-prop-2-enoxypropyl)amino]ethyl]imidazolidin-2-one is sourced from PubChem (CID 130421996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).