3-[2-(aminomethyl)prop-2-enyl]-5-propylimidazolidine-2,4-dione

C10H17N3O2 — CID 103071713

IUPAC3-[2-(aminomethyl)prop-2-enyl]-5-propylimidazolidine-2,4-dione
SMILESC=C(CN)CN1C(=O)NC(CCC)C1=O
InChIInChI=1S/C10H17N3O2/c1-3-4-8-9(14)13(10(15)12-8)6-7(2)5-11/h8H,2-6,11H2,1H3,(H,12,15)
InChIKeyAHPROBONFFMVGJ-UHFFFAOYSA-N
MW211.26 g/mol
LogP0.22
Rot. Bonds5

About 3-[2-(aminomethyl)prop-2-enyl]-5-propylimidazolidine-2,4-dione

3-[2-(aminomethyl)prop-2-enyl]-5-propylimidazolidine-2,4-dione (PubChem CID 103071713) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is 3-[2-(aminomethyl)prop-2-enyl]-5-propylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[2-(aminomethyl)prop-2-enyl]-5-propylimidazolidine-2,4-dione
PubChem CID103071713
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC Name3-[2-(aminomethyl)prop-2-enyl]-5-propylimidazolidine-2,4-dione
SMILESC=C(CN)CN1C(=O)NC(CCC)C1=O
InChIInChI=1S/C10H17N3O2/c1-3-4-8-9(14)13(10(15)12-8)6-7(2)5-11/h8H,2-6,11H2,1H3,(H,12,15)
InChIKeyAHPROBONFFMVGJ-UHFFFAOYSA-N
XLogP0.22
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2,5-dioxo-4-propylimidazolidin-1-yl)acetohydrazide
CID 63577727
3-(2-cyclopropyl-2-oxoethyl)-5-propylimidazolidine-2,4-dione
CID 63912854
butyl 2-(2,5-dioxo-4-propylimidazolidin-1-yl)acetate
CID 54942288
3-prop-2-enyl-5-propylimidazolidine-2,4-dione
CID 170447663
3-(2-chloroethyl)-5-propylimidazolidine-2,4-dione
CID 43135563
(5S)-3-(2-chloroprop-2-enyl)-5-ethylimidazolidine-2,4-dione
CID 130751870
3-(3-amino-2-ethoxypropyl)-5-propylimidazolidine-2,4-dione
CID 63072352
2-[4-(3-aminopropyl)-2,5-dioxoimidazolidin-1-yl]acetic acid
CID 21357442
N-(2-cyanoethyl)-2-(2,5-dioxo-4-propylimidazolidin-1-yl)-N-methylacetamide
CID 43289129
3-(6-amino-5,5-dimethylhexyl)-5-propylimidazolidine-2,4-dione
CID 106708350
2-[(2,5-dioxo-4-propylimidazolidin-1-yl)methyl]furan-3-carbohydrazide
CID 63578611
3-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]-5-propylimidazolidine-2,4-dione
CID 60627642

Frequently Asked Questions

What is the IUPAC name of 3-[2-(aminomethyl)prop-2-enyl]-5-propylimidazolidine-2,4-dione?
The IUPAC name of 3-[2-(aminomethyl)prop-2-enyl]-5-propylimidazolidine-2,4-dione (CID 103071713) is 3-[2-(aminomethyl)prop-2-enyl]-5-propylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[2-(aminomethyl)prop-2-enyl]-5-propylimidazolidine-2,4-dione?
The canonical SMILES for 3-[2-(aminomethyl)prop-2-enyl]-5-propylimidazolidine-2,4-dione is C=C(CN)CN1C(=O)NC(CCC)C1=O.
What is the InChIKey of 3-[2-(aminomethyl)prop-2-enyl]-5-propylimidazolidine-2,4-dione?
The InChIKey is AHPROBONFFMVGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-3-4-8-9(14)13(10(15)12-8)6-7(2)5-11/h8H,2-6,11H2,1H3,(H,12,15).
What are the key properties of 3-[2-(aminomethyl)prop-2-enyl]-5-propylimidazolidine-2,4-dione?
3-[2-(aminomethyl)prop-2-enyl]-5-propylimidazolidine-2,4-dione has a molecular weight of 211.26 g/mol, XLogP of 0.22, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(aminomethyl)prop-2-enyl]-5-propylimidazolidine-2,4-dione is sourced from PubChem (CID 103071713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).