(1R,2R,4S)-spiro[bicyclo[2.2.1]heptane-2,5'-imidazolidine]-2',4'-dione

C9H12N2O2 — CID 129387528

IUPAC(1R,2R,4S)-spiro[bicyclo[2.2.1]heptane-2,5'-imidazolidine]-2',4'-dione
SMILESO=C1NC(=O)[C@]2(C[C@H]3CC[C@@H]2C3)N1
InChIInChI=1S/C9H12N2O2/c12-7-9(11-8(13)10-7)4-5-1-2-6(9)3-5/h5-6H,1-4H2,(H2,10,11,12,13)/t5-,6+,9+/m0/s1
InChIKeyWXMYOZGTBIDFEA-CCGCGBOQSA-N
MW180.21 g/mol
LogP0.38
Rot. Bonds

About (1R,2R,4S)-spiro[bicyclo[2.2.1]heptane-2,5'-imidazolidine]-2',4'-dione

(1R,2R,4S)-spiro[bicyclo[2.2.1]heptane-2,5'-imidazolidine]-2',4'-dione (PubChem CID 129387528) has the molecular formula C9H12N2O2 and a molecular weight of 180.21 g/mol. Its IUPAC name is (1R,2R,4S)-spiro[bicyclo[2.2.1]heptane-2,5'-imidazolidine]-2',4'-dione.

Molecular Properties

Compound Name(1R,2R,4S)-spiro[bicyclo[2.2.1]heptane-2,5'-imidazolidine]-2',4'-dione
PubChem CID129387528
Molecular FormulaC9H12N2O2
Molecular Weight180.21 g/mol
Exact Mass180.09
IUPAC Name(1R,2R,4S)-spiro[bicyclo[2.2.1]heptane-2,5'-imidazolidine]-2',4'-dione
SMILESO=C1NC(=O)[C@]2(C[C@H]3CC[C@@H]2C3)N1
InChIInChI=1S/C9H12N2O2/c12-7-9(11-8(13)10-7)4-5-1-2-6(9)3-5/h5-6H,1-4H2,(H2,10,11,12,13)/t5-,6+,9+/m0/s1
InChIKeyWXMYOZGTBIDFEA-CCGCGBOQSA-N
XLogP0.38
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2',5'-dioxospiro[bicyclo[2.2.1]heptane-6,4'-imidazolidine]-2-carboxylic acid
CID 122155699
6,8,8-trimethyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 81320656
methyl (5R,7S,9R)-7,9-dimethyl-2,4-dioxo-1,3-diazaspiro[4.4]nonane-7-carboxylate
CID 99995843
(5S,9S)-9-fluoro-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 46939003
(6S)-6,8-dimethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 176666943
6-methoxy-1,3-diazaspiro[4.5]decane-2,4-dione
CID 106872094
(1S,4R)-spiro[bicyclo[2.2.1]heptane-2,3'-oxetane]-2',4'-dione
CID 54178229
5-methyl-5-(3-methylcyclopentyl)imidazolidine-2,4-dione
CID 90358544
(5R,9R)-9-(aminomethyl)-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 95566914
5-(1-adamantyl)-5-methylimidazolidine-2,4-dione
CID 16792780
6-propan-2-yl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 115563241
3-methylspiro[1,3-oxazolidine-5,2'-bicyclo[2.2.1]heptane]-2-one
CID 11564569

Frequently Asked Questions

What is the IUPAC name of (1R,2R,4S)-spiro[bicyclo[2.2.1]heptane-2,5'-imidazolidine]-2',4'-dione?
The IUPAC name of (1R,2R,4S)-spiro[bicyclo[2.2.1]heptane-2,5'-imidazolidine]-2',4'-dione (CID 129387528) is (1R,2R,4S)-spiro[bicyclo[2.2.1]heptane-2,5'-imidazolidine]-2',4'-dione.
What is the SMILES notation for (1R,2R,4S)-spiro[bicyclo[2.2.1]heptane-2,5'-imidazolidine]-2',4'-dione?
The canonical SMILES for (1R,2R,4S)-spiro[bicyclo[2.2.1]heptane-2,5'-imidazolidine]-2',4'-dione is O=C1NC(=O)[C@]2(C[C@H]3CC[C@@H]2C3)N1.
What is the InChIKey of (1R,2R,4S)-spiro[bicyclo[2.2.1]heptane-2,5'-imidazolidine]-2',4'-dione?
The InChIKey is WXMYOZGTBIDFEA-CCGCGBOQSA-N. The full InChI is InChI=1S/C9H12N2O2/c12-7-9(11-8(13)10-7)4-5-1-2-6(9)3-5/h5-6H,1-4H2,(H2,10,11,12,13)/t5-,6+,9+/m0/s1.
What are the key properties of (1R,2R,4S)-spiro[bicyclo[2.2.1]heptane-2,5'-imidazolidine]-2',4'-dione?
(1R,2R,4S)-spiro[bicyclo[2.2.1]heptane-2,5'-imidazolidine]-2',4'-dione has a molecular weight of 180.21 g/mol, XLogP of 0.38, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,4S)-spiro[bicyclo[2.2.1]heptane-2,5'-imidazolidine]-2',4'-dione is sourced from PubChem (CID 129387528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).