(1R)-1-methyl-5-nitrospiro[1,3-dihydroindene-2,5'-imidazolidine]-2',4'-dione

C12H11N3O4 — CID 90010973

IUPAC(1R)-1-methyl-5-nitrospiro[1,3-dihydroindene-2,5'-imidazolidine]-2',4'-dione
SMILESC[C@@H]1c2ccc([N+](=O)[O-])cc2CC12NC(=O)NC2=O
InChIInChI=1S/C12H11N3O4/c1-6-9-3-2-8(15(18)19)4-7(9)5-12(6)10(16)13-11(17)14-12/h2-4,6H,5H2,1H3,(H2,13,14,16,17)/t6-,12?/m1/s1
InChIKeyHQVXPWTUTMTYCI-ZJGHLTBISA-N
MW261.24 g/mol
LogP0.83
Rot. Bonds1

About (1R)-1-methyl-5-nitrospiro[1,3-dihydroindene-2,5'-imidazolidine]-2',4'-dione

(1R)-1-methyl-5-nitrospiro[1,3-dihydroindene-2,5'-imidazolidine]-2',4'-dione (PubChem CID 90010973) has the molecular formula C12H11N3O4 and a molecular weight of 261.24 g/mol. Its IUPAC name is (1R)-1-methyl-5-nitrospiro[1,3-dihydroindene-2,5'-imidazolidine]-2',4'-dione.

Molecular Properties

Compound Name(1R)-1-methyl-5-nitrospiro[1,3-dihydroindene-2,5'-imidazolidine]-2',4'-dione
PubChem CID90010973
Molecular FormulaC12H11N3O4
Molecular Weight261.24 g/mol
Exact Mass261.07
IUPAC Name(1R)-1-methyl-5-nitrospiro[1,3-dihydroindene-2,5'-imidazolidine]-2',4'-dione
SMILESC[C@@H]1c2ccc([N+](=O)[O-])cc2CC12NC(=O)NC2=O
InChIInChI=1S/C12H11N3O4/c1-6-9-3-2-8(15(18)19)4-7(9)5-12(6)10(16)13-11(17)14-12/h2-4,6H,5H2,1H3,(H2,13,14,16,17)/t6-,12?/m1/s1
InChIKeyHQVXPWTUTMTYCI-ZJGHLTBISA-N
XLogP0.83
TPSA101.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.24
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-methyl-5-nitrospiro[1,3-dihydroindene-2,5'-imidazolidine]-2',4'-dione?
The IUPAC name of (1R)-1-methyl-5-nitrospiro[1,3-dihydroindene-2,5'-imidazolidine]-2',4'-dione (CID 90010973) is (1R)-1-methyl-5-nitrospiro[1,3-dihydroindene-2,5'-imidazolidine]-2',4'-dione.
What is the SMILES notation for (1R)-1-methyl-5-nitrospiro[1,3-dihydroindene-2,5'-imidazolidine]-2',4'-dione?
The canonical SMILES for (1R)-1-methyl-5-nitrospiro[1,3-dihydroindene-2,5'-imidazolidine]-2',4'-dione is C[C@@H]1c2ccc([N+](=O)[O-])cc2CC12NC(=O)NC2=O.
What is the InChIKey of (1R)-1-methyl-5-nitrospiro[1,3-dihydroindene-2,5'-imidazolidine]-2',4'-dione?
The InChIKey is HQVXPWTUTMTYCI-ZJGHLTBISA-N. The full InChI is InChI=1S/C12H11N3O4/c1-6-9-3-2-8(15(18)19)4-7(9)5-12(6)10(16)13-11(17)14-12/h2-4,6H,5H2,1H3,(H2,13,14,16,17)/t6-,12?/m1/s1.
What are the key properties of (1R)-1-methyl-5-nitrospiro[1,3-dihydroindene-2,5'-imidazolidine]-2',4'-dione?
(1R)-1-methyl-5-nitrospiro[1,3-dihydroindene-2,5'-imidazolidine]-2',4'-dione has a molecular weight of 261.24 g/mol, XLogP of 0.83, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-methyl-5-nitrospiro[1,3-dihydroindene-2,5'-imidazolidine]-2',4'-dione is sourced from PubChem (CID 90010973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).