5-cyclopropyl-5-methyl-3-[2-[2-(methylaminomethyl)pyrrolidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione;hydrochloride

C15H25ClN4O3 — CID 119649000

IUPAC5-cyclopropyl-5-methyl-3-[2-[2-(methylaminomethyl)pyrrolidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione;hydrochloride
SMILESCNCC1CCCN1C(=O)CN1C(=O)NC(C)(C2CC2)C1=O.Cl
InChIInChI=1S/C15H24N4O3.ClH/c1-15(10-5-6-10)13(21)19(14(22)17-15)9-12(20)18-7-3-4-11(18)8-16-2;/h10-11,16H,3-9H2,1-2H3,(H,17,22);1H
InChIKeyFZGGWZYVEZLEQX-UHFFFAOYSA-N
MW344.84 g/mol
LogP0.34
Rot. Bonds5

About 5-cyclopropyl-5-methyl-3-[2-[2-(methylaminomethyl)pyrrolidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione;hydrochloride

5-cyclopropyl-5-methyl-3-[2-[2-(methylaminomethyl)pyrrolidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione;hydrochloride (PubChem CID 119649000) has the molecular formula C15H25ClN4O3 and a molecular weight of 344.84 g/mol. Its IUPAC name is 5-cyclopropyl-5-methyl-3-[2-[2-(methylaminomethyl)pyrrolidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione;hydrochloride.

Molecular Properties

Compound Name5-cyclopropyl-5-methyl-3-[2-[2-(methylaminomethyl)pyrrolidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione;hydrochloride
PubChem CID119649000
Molecular FormulaC15H25ClN4O3
Molecular Weight344.84 g/mol
Exact Mass344.16
IUPAC Name5-cyclopropyl-5-methyl-3-[2-[2-(methylaminomethyl)pyrrolidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione;hydrochloride
SMILESCNCC1CCCN1C(=O)CN1C(=O)NC(C)(C2CC2)C1=O.Cl
InChIInChI=1S/C15H24N4O3.ClH/c1-15(10-5-6-10)13(21)19(14(22)17-15)9-12(20)18-7-3-4-11(18)8-16-2;/h10-11,16H,3-9H2,1-2H3,(H,17,22);1H
InChIKeyFZGGWZYVEZLEQX-UHFFFAOYSA-N
XLogP0.34
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.84
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[2-[2-(methylaminomethyl)pyrrolidin-1-yl]-2-oxoethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione;hydrochloride
CID 119650021
3-[2-[2-(methylaminomethyl)pyrrolidin-1-yl]-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione;hydrochloride
CID 119649134
3-amino-N-[[1-[2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120580314
5-cyclopropyl-5-methyl-3-[2-[3-(methylaminomethyl)piperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione
CID 119395261
5-cyclopropyl-5-methyl-3-[2-oxo-2-[2-(2-phenylethyl)pyrrolidin-1-yl]ethyl]imidazolidine-2,4-dione
CID 87025737
6-methyl-3-[2-[2-(methylaminomethyl)pyrrolidin-1-yl]-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione;hydrochloride
CID 119651115
5-cyclopropyl-5-methyl-3-[2-oxo-2-(2-phenylpyrrolidin-1-yl)ethyl]imidazolidine-2,4-dione
CID 56809766
5-cyclopropyl-5-methyl-3-[2-[3-(methylamino)piperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione;hydrochloride
CID 119488225
3-[2-[2-(1-aminoethyl)piperidin-1-yl]-2-oxoethyl]-5-cyclopropyl-5-methylimidazolidine-2,4-dione
CID 119434841
(5S)-5-cyclopropyl-5-methyl-3-[2-oxo-2-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]ethyl]imidazolidine-2,4-dione
CID 94117584
5-cyclopropyl-5-methyl-3-[2-oxo-2-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]ethyl]imidazolidine-2,4-dione
CID 56797913
5-cyclopropyl-5-methyl-3-[2-(2-methylpiperazin-1-yl)-2-oxoethyl]imidazolidine-2,4-dione;hydrochloride
CID 119470389

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-5-methyl-3-[2-[2-(methylaminomethyl)pyrrolidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione;hydrochloride?
The IUPAC name of 5-cyclopropyl-5-methyl-3-[2-[2-(methylaminomethyl)pyrrolidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione;hydrochloride (CID 119649000) is 5-cyclopropyl-5-methyl-3-[2-[2-(methylaminomethyl)pyrrolidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione;hydrochloride.
What is the SMILES notation for 5-cyclopropyl-5-methyl-3-[2-[2-(methylaminomethyl)pyrrolidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione;hydrochloride?
The canonical SMILES for 5-cyclopropyl-5-methyl-3-[2-[2-(methylaminomethyl)pyrrolidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione;hydrochloride is CNCC1CCCN1C(=O)CN1C(=O)NC(C)(C2CC2)C1=O.Cl.
What is the InChIKey of 5-cyclopropyl-5-methyl-3-[2-[2-(methylaminomethyl)pyrrolidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione;hydrochloride?
The InChIKey is FZGGWZYVEZLEQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O3.ClH/c1-15(10-5-6-10)13(21)19(14(22)17-15)9-12(20)18-7-3-4-11(18)8-16-2;/h10-11,16H,3-9H2,1-2H3,(H,17,22);1H.
What are the key properties of 5-cyclopropyl-5-methyl-3-[2-[2-(methylaminomethyl)pyrrolidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione;hydrochloride?
5-cyclopropyl-5-methyl-3-[2-[2-(methylaminomethyl)pyrrolidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione;hydrochloride has a molecular weight of 344.84 g/mol, XLogP of 0.34, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-5-methyl-3-[2-[2-(methylaminomethyl)pyrrolidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione;hydrochloride is sourced from PubChem (CID 119649000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).