2-[(1-methylpyrrolidin-2-yl)methylimino]imidazolidine-4,5-dione

C9H14N4O2 — CID 136731515

IUPAC2-[(1-methylpyrrolidin-2-yl)methylimino]imidazolidine-4,5-dione
SMILESCN1CCCC1CN=C1NC(=O)C(=O)N1
InChIInChI=1S/C9H14N4O2/c1-13-4-2-3-6(13)5-10-9-11-7(14)8(15)12-9/h6H,2-5H2,1H3,(H2,10,11,12,14,15)
InChIKeyJCYYYXJZCVSTMW-UHFFFAOYSA-N
MW210.24 g/mol
LogP-1.32
Rot. Bonds2

About 2-[(1-methylpyrrolidin-2-yl)methylimino]imidazolidine-4,5-dione

2-[(1-methylpyrrolidin-2-yl)methylimino]imidazolidine-4,5-dione (PubChem CID 136731515) has the molecular formula C9H14N4O2 and a molecular weight of 210.24 g/mol. Its IUPAC name is 2-[(1-methylpyrrolidin-2-yl)methylimino]imidazolidine-4,5-dione.

Molecular Properties

Compound Name2-[(1-methylpyrrolidin-2-yl)methylimino]imidazolidine-4,5-dione
PubChem CID136731515
Molecular FormulaC9H14N4O2
Molecular Weight210.24 g/mol
Exact Mass210.11
IUPAC Name2-[(1-methylpyrrolidin-2-yl)methylimino]imidazolidine-4,5-dione
SMILESCN1CCCC1CN=C1NC(=O)C(=O)N1
InChIInChI=1S/C9H14N4O2/c1-13-4-2-3-6(13)5-10-9-11-7(14)8(15)12-9/h6H,2-5H2,1H3,(H2,10,11,12,14,15)
InChIKeyJCYYYXJZCVSTMW-UHFFFAOYSA-N
XLogP-1.32
TPSA73.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 5-1.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

1-methyl-2-(nitrosomethyl)pyrrolidine
CID 142961038
4,4-dimethyl-N-[(1-methylpiperidin-2-yl)methyl]-1,3-thiazinan-2-imine
CID 136992166
N-[(1-methylpyrrolidin-2-yl)methyl]-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[d][1,3]thiazin-2-imine
CID 136747468
6-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]-1H-indole-2,3-dione
CID 79314091
2-(isocyanatomethyl)-1-methylpiperidine
CID 21030173
5-ethyl-6-[(1-methylpyrrolidin-2-yl)methyl]-4,6-diazaspiro[2.4]heptan-7-one
CID 114137896
2-methyl-3-[(1-methylpyrrolidin-2-yl)methyl]-1,3-diazaspiro[4.4]nonan-4-one
CID 106021778
(2R)-2-ethyl-1-methylpyrrolidine;hydrofluoride
CID 162730747
[(2R)-1-methylpyrrolidin-2-yl]methanethiol
CID 90948106
4-[(1-methylpyrrolidin-2-yl)methyl]-1,4-diazepan-5-one
CID 115100457
(1-methylpyrrolidin-2-yl)methanol;yttrium
CID 164903793
(2S)-1-methyl-2-(pyrrolidin-1-ylmethyl)pyrrolidine
CID 10920923

Frequently Asked Questions

What is the IUPAC name of 2-[(1-methylpyrrolidin-2-yl)methylimino]imidazolidine-4,5-dione?
The IUPAC name of 2-[(1-methylpyrrolidin-2-yl)methylimino]imidazolidine-4,5-dione (CID 136731515) is 2-[(1-methylpyrrolidin-2-yl)methylimino]imidazolidine-4,5-dione.
What is the SMILES notation for 2-[(1-methylpyrrolidin-2-yl)methylimino]imidazolidine-4,5-dione?
The canonical SMILES for 2-[(1-methylpyrrolidin-2-yl)methylimino]imidazolidine-4,5-dione is CN1CCCC1CN=C1NC(=O)C(=O)N1.
What is the InChIKey of 2-[(1-methylpyrrolidin-2-yl)methylimino]imidazolidine-4,5-dione?
The InChIKey is JCYYYXJZCVSTMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O2/c1-13-4-2-3-6(13)5-10-9-11-7(14)8(15)12-9/h6H,2-5H2,1H3,(H2,10,11,12,14,15).
What are the key properties of 2-[(1-methylpyrrolidin-2-yl)methylimino]imidazolidine-4,5-dione?
2-[(1-methylpyrrolidin-2-yl)methylimino]imidazolidine-4,5-dione has a molecular weight of 210.24 g/mol, XLogP of -1.32, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-methylpyrrolidin-2-yl)methylimino]imidazolidine-4,5-dione is sourced from PubChem (CID 136731515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).