(5S)-3-(2-chloroprop-2-enyl)-5-ethylimidazolidine-2,4-dione

C8H11ClN2O2 — CID 130751870

IUPAC(5S)-3-(2-chloroprop-2-enyl)-5-ethylimidazolidine-2,4-dione
SMILESC=C(Cl)CN1C(=O)N[C@@H](CC)C1=O
InChIInChI=1S/C8H11ClN2O2/c1-3-6-7(12)11(4-5(2)9)8(13)10-6/h6H,2-4H2,1H3,(H,10,13)/t6-/m0/s1
InChIKeyTUEDBYYWZVDPRQ-LURJTMIESA-N
MW202.64 g/mol
LogP1.07
Rot. Bonds3

About (5S)-3-(2-chloroprop-2-enyl)-5-ethylimidazolidine-2,4-dione

(5S)-3-(2-chloroprop-2-enyl)-5-ethylimidazolidine-2,4-dione (PubChem CID 130751870) has the molecular formula C8H11ClN2O2 and a molecular weight of 202.64 g/mol. Its IUPAC name is (5S)-3-(2-chloroprop-2-enyl)-5-ethylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-3-(2-chloroprop-2-enyl)-5-ethylimidazolidine-2,4-dione
PubChem CID130751870
Molecular FormulaC8H11ClN2O2
Molecular Weight202.64 g/mol
Exact Mass202.05
IUPAC Name(5S)-3-(2-chloroprop-2-enyl)-5-ethylimidazolidine-2,4-dione
SMILESC=C(Cl)CN1C(=O)N[C@@H](CC)C1=O
InChIInChI=1S/C8H11ClN2O2/c1-3-6-7(12)11(4-5(2)9)8(13)10-6/h6H,2-4H2,1H3,(H,10,13)/t6-/m0/s1
InChIKeyTUEDBYYWZVDPRQ-LURJTMIESA-N
XLogP1.07
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.64
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-ethyl-3-[(2S)-2-hydroxypropyl]imidazolidine-2,4-dione
CID 131041674
3-[2-(aminomethyl)prop-2-enyl]-5-propylimidazolidine-2,4-dione
CID 103071713
ethane;5-ethyl-3-hydroxyimidazolidine-2,4-dione
CID 166073631
3-ethyl-1-(2-methylprop-2-enyl)piperazine-2,5-dione
CID 114619345
3-ethyl-6-methyl-1-(2-methylprop-2-enyl)piperazine-2,5-dione
CID 114619332
3-(2-cyclopropyl-2-oxoethyl)-5-propylimidazolidine-2,4-dione
CID 63912854
2-[(4S)-4-(aminomethyl)-2,5-dioxoimidazolidin-1-yl]acetic acid
CID 59953083
2-(2,5-dioxo-4-propylimidazolidin-1-yl)acetohydrazide
CID 63577727
(5S)-5-ethyl-3-prop-2-enyl-2-sulfanylideneimidazolidin-4-one
CID 740819
(5S)-3-(2-bromoprop-2-enyl)-5-methylimidazolidine-2,4-dione
CID 130621805
2-[(4S)-1-(2-ethoxy-2-oxoethyl)-2,5-dioxoimidazolidin-4-yl]acetic acid
CID 134107553
8-ethyl-6-(2-methylprop-2-enyl)-2,3,8,9-tetrahydro-[1,4]dioxino[2,3-g]quinoxalin-7-one
CID 82157756

Frequently Asked Questions

What is the IUPAC name of (5S)-3-(2-chloroprop-2-enyl)-5-ethylimidazolidine-2,4-dione?
The IUPAC name of (5S)-3-(2-chloroprop-2-enyl)-5-ethylimidazolidine-2,4-dione (CID 130751870) is (5S)-3-(2-chloroprop-2-enyl)-5-ethylimidazolidine-2,4-dione.
What is the SMILES notation for (5S)-3-(2-chloroprop-2-enyl)-5-ethylimidazolidine-2,4-dione?
The canonical SMILES for (5S)-3-(2-chloroprop-2-enyl)-5-ethylimidazolidine-2,4-dione is C=C(Cl)CN1C(=O)N[C@@H](CC)C1=O.
What is the InChIKey of (5S)-3-(2-chloroprop-2-enyl)-5-ethylimidazolidine-2,4-dione?
The InChIKey is TUEDBYYWZVDPRQ-LURJTMIESA-N. The full InChI is InChI=1S/C8H11ClN2O2/c1-3-6-7(12)11(4-5(2)9)8(13)10-6/h6H,2-4H2,1H3,(H,10,13)/t6-/m0/s1.
What are the key properties of (5S)-3-(2-chloroprop-2-enyl)-5-ethylimidazolidine-2,4-dione?
(5S)-3-(2-chloroprop-2-enyl)-5-ethylimidazolidine-2,4-dione has a molecular weight of 202.64 g/mol, XLogP of 1.07, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-3-(2-chloroprop-2-enyl)-5-ethylimidazolidine-2,4-dione is sourced from PubChem (CID 130751870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).