formic acid;piperidine-2,6-dione

C7H11NO6 — CID 175983353

IUPACformic acid;piperidine-2,6-dione
SMILESO=C1CCCC(=O)N1.O=CO.O=CO
InChIInChI=1S/C5H7NO2.2CH2O2/c7-4-2-1-3-5(8)6-4;2*2-1-3/h1-3H2,(H,6,7,8);2*1H,(H,2,3)
InChIKeyVTCGGVDMADXBPN-UHFFFAOYSA-N
MW205.17 g/mol
LogP-0.79
Rot. Bonds

About formic acid;piperidine-2,6-dione

formic acid;piperidine-2,6-dione (PubChem CID 175983353) has the molecular formula C7H11NO6 and a molecular weight of 205.17 g/mol. Its IUPAC name is formic acid;piperidine-2,6-dione.

Molecular Properties

Compound Nameformic acid;piperidine-2,6-dione
PubChem CID175983353
Molecular FormulaC7H11NO6
Molecular Weight205.17 g/mol
Exact Mass205.06
IUPAC Nameformic acid;piperidine-2,6-dione
SMILESO=C1CCCC(=O)N1.O=CO.O=CO
InChIInChI=1S/C5H7NO2.2CH2O2/c7-4-2-1-3-5(8)6-4;2*2-1-3/h1-3H2,(H,6,7,8);2*1H,(H,2,3)
InChIKeyVTCGGVDMADXBPN-UHFFFAOYSA-N
XLogP-0.79
TPSA120.77 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.17
LogP ≤ 5-0.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

sodium piperidine-2,6-dione
CID 22619648
piperidine-2,6-dione;prop-2-enoic acid
CID 69098530
azepane-2,7-dione;ethane
CID 145404800
1,2-dibromoethane;piperidine-2,6-dione
CID 160540875
piperidine-2,6-dione;terephthalic acid
CID 175551012
pentanedioic acid;piperidine-2,6-dione
CID 175379041
CID 70395227
CID 70395227
hydron;pyrrolidine-2,5-dione
CID 174652792
CID 157384744
CID 157384744
5-(hydroxymethylidene)pyrrolidin-2-one
CID 154112333
1,3-diazonane-2,4,9-trione;dihydrate
CID 160784508
oxalic acid;bis(pyrrolidine-2,5-dione)
CID 175829217

Frequently Asked Questions

What is the IUPAC name of formic acid;piperidine-2,6-dione?
The IUPAC name of formic acid;piperidine-2,6-dione (CID 175983353) is formic acid;piperidine-2,6-dione.
What is the SMILES notation for formic acid;piperidine-2,6-dione?
The canonical SMILES for formic acid;piperidine-2,6-dione is O=C1CCCC(=O)N1.O=CO.O=CO.
What is the InChIKey of formic acid;piperidine-2,6-dione?
The InChIKey is VTCGGVDMADXBPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7NO2.2CH2O2/c7-4-2-1-3-5(8)6-4;2*2-1-3/h1-3H2,(H,6,7,8);2*1H,(H,2,3).
What are the key properties of formic acid;piperidine-2,6-dione?
formic acid;piperidine-2,6-dione has a molecular weight of 205.17 g/mol, XLogP of -0.79, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for formic acid;piperidine-2,6-dione is sourced from PubChem (CID 175983353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).