(6R)-6-(1-methylimidazol-2-yl)piperidine-2,4-dione

C9H11N3O2 — CID 130641897

IUPAC(6R)-6-(1-methylimidazol-2-yl)piperidine-2,4-dione
SMILESCn1ccnc1[C@H]1CC(=O)CC(=O)N1
InChIInChI=1S/C9H11N3O2/c1-12-3-2-10-9(12)7-4-6(13)5-8(14)11-7/h2-3,7H,4-5H2,1H3,(H,11,14)/t7-/m1/s1
InChIKeyQCRBTAWHUUVNGK-SSDOTTSWSA-N
MW193.21 g/mol
LogP-0.06
Rot. Bonds1

About (6R)-6-(1-methylimidazol-2-yl)piperidine-2,4-dione

(6R)-6-(1-methylimidazol-2-yl)piperidine-2,4-dione (PubChem CID 130641897) has the molecular formula C9H11N3O2 and a molecular weight of 193.21 g/mol. Its IUPAC name is (6R)-6-(1-methylimidazol-2-yl)piperidine-2,4-dione.

Molecular Properties

Compound Name(6R)-6-(1-methylimidazol-2-yl)piperidine-2,4-dione
PubChem CID130641897
Molecular FormulaC9H11N3O2
Molecular Weight193.21 g/mol
Exact Mass193.09
IUPAC Name(6R)-6-(1-methylimidazol-2-yl)piperidine-2,4-dione
SMILESCn1ccnc1[C@H]1CC(=O)CC(=O)N1
InChIInChI=1S/C9H11N3O2/c1-12-3-2-10-9(12)7-4-6(13)5-8(14)11-7/h2-3,7H,4-5H2,1H3,(H,11,14)/t7-/m1/s1
InChIKeyQCRBTAWHUUVNGK-SSDOTTSWSA-N
XLogP-0.06
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.21
LogP ≤ 5-0.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (6R)-6-(1-methylimidazol-2-yl)piperidine-2,4-dione?
The IUPAC name of (6R)-6-(1-methylimidazol-2-yl)piperidine-2,4-dione (CID 130641897) is (6R)-6-(1-methylimidazol-2-yl)piperidine-2,4-dione.
What is the SMILES notation for (6R)-6-(1-methylimidazol-2-yl)piperidine-2,4-dione?
The canonical SMILES for (6R)-6-(1-methylimidazol-2-yl)piperidine-2,4-dione is Cn1ccnc1[C@H]1CC(=O)CC(=O)N1.
What is the InChIKey of (6R)-6-(1-methylimidazol-2-yl)piperidine-2,4-dione?
The InChIKey is QCRBTAWHUUVNGK-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H11N3O2/c1-12-3-2-10-9(12)7-4-6(13)5-8(14)11-7/h2-3,7H,4-5H2,1H3,(H,11,14)/t7-/m1/s1.
What are the key properties of (6R)-6-(1-methylimidazol-2-yl)piperidine-2,4-dione?
(6R)-6-(1-methylimidazol-2-yl)piperidine-2,4-dione has a molecular weight of 193.21 g/mol, XLogP of -0.06, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-6-(1-methylimidazol-2-yl)piperidine-2,4-dione is sourced from PubChem (CID 130641897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).