3-[[2-(aminomethyl)furan-3-yl]methyl]imidazolidine-2,4-dione

C9H11N3O3 — CID 82507746

IUPAC3-[[2-(aminomethyl)furan-3-yl]methyl]imidazolidine-2,4-dione
SMILESNCc1occc1CN1C(=O)CNC1=O
InChIInChI=1S/C9H11N3O3/c10-3-7-6(1-2-15-7)5-12-8(13)4-11-9(12)14/h1-2H,3-5,10H2,(H,11,14)
InChIKeyQAUVIDCRGPBYRB-UHFFFAOYSA-N
MW209.20 g/mol
LogP-0.21
Rot. Bonds3

About 3-[[2-(aminomethyl)furan-3-yl]methyl]imidazolidine-2,4-dione

3-[[2-(aminomethyl)furan-3-yl]methyl]imidazolidine-2,4-dione (PubChem CID 82507746) has the molecular formula C9H11N3O3 and a molecular weight of 209.20 g/mol. Its IUPAC name is 3-[[2-(aminomethyl)furan-3-yl]methyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[[2-(aminomethyl)furan-3-yl]methyl]imidazolidine-2,4-dione
PubChem CID82507746
Molecular FormulaC9H11N3O3
Molecular Weight209.20 g/mol
Exact Mass209.08
IUPAC Name3-[[2-(aminomethyl)furan-3-yl]methyl]imidazolidine-2,4-dione
SMILESNCc1occc1CN1C(=O)CNC1=O
InChIInChI=1S/C9H11N3O3/c10-3-7-6(1-2-15-7)5-12-8(13)4-11-9(12)14/h1-2H,3-5,10H2,(H,11,14)
InChIKeyQAUVIDCRGPBYRB-UHFFFAOYSA-N
XLogP-0.21
TPSA88.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.20
LogP ≤ 5-0.21
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

4-[[2-(aminomethyl)furan-3-yl]methyl]piperazin-2-one
CID 82507803
3-[[4-(aminomethyl)-2-chlorophenyl]methyl]imidazolidine-2,4-dione
CID 102663211
3-[[2-(aminomethyl)furan-3-yl]methyl]-1,3-thiazolidin-2-one
CID 82508445
3-[[3-(aminomethyl)-1,2-oxazol-5-yl]methyl]imidazolidine-2,4-dione
CID 82508004
3-[(2-amino-4-chlorophenyl)methyl]imidazolidine-2,4-dione
CID 62100916
[3-(pyrazol-1-ylmethyl)furan-2-yl]methanamine
CID 62447546
2-[4-[[2-(aminomethyl)furan-3-yl]methyl]piperazin-1-yl]-N,N-dimethylethanamine
CID 62889758
3-[(5-methylthiophen-2-yl)methyl]imidazolidine-2,4-dione
CID 103621020
[3-(3-azaspiro[5.5]undecan-3-ylmethyl)furan-2-yl]methanamine
CID 62930470
3-[[2-(methylamino)-3-pyridinyl]methyl]imidazolidine-2,4-dione
CID 62465249
N'-[[2-(aminomethyl)furan-3-yl]methyl]-N,N,N'-trimethylethane-1,2-diamine
CID 63725121
[3-(methylsulfinylmethyl)furan-2-yl]methanamine
CID 82503325

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(aminomethyl)furan-3-yl]methyl]imidazolidine-2,4-dione?
The IUPAC name of 3-[[2-(aminomethyl)furan-3-yl]methyl]imidazolidine-2,4-dione (CID 82507746) is 3-[[2-(aminomethyl)furan-3-yl]methyl]imidazolidine-2,4-dione.
What is the SMILES notation for 3-[[2-(aminomethyl)furan-3-yl]methyl]imidazolidine-2,4-dione?
The canonical SMILES for 3-[[2-(aminomethyl)furan-3-yl]methyl]imidazolidine-2,4-dione is NCc1occc1CN1C(=O)CNC1=O.
What is the InChIKey of 3-[[2-(aminomethyl)furan-3-yl]methyl]imidazolidine-2,4-dione?
The InChIKey is QAUVIDCRGPBYRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O3/c10-3-7-6(1-2-15-7)5-12-8(13)4-11-9(12)14/h1-2H,3-5,10H2,(H,11,14).
What are the key properties of 3-[[2-(aminomethyl)furan-3-yl]methyl]imidazolidine-2,4-dione?
3-[[2-(aminomethyl)furan-3-yl]methyl]imidazolidine-2,4-dione has a molecular weight of 209.20 g/mol, XLogP of -0.21, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(aminomethyl)furan-3-yl]methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 82507746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).