CID 88533496

C4H6NO2- — CID 88533496

IUPAC—
SMILES[CH2-]N1CCOC1=O
InChIInChI=1S/C4H6NO2/c1-5-2-3-7-4(5)6/h1-3H2/q-1
InChIKeyPGVQVDWEGRQQCP-UHFFFAOYSA-N
MW100.10 g/mol
LogP0.23
Rot. Bonds

About CID 88533496

CID 88533496 (PubChem CID 88533496) has the molecular formula C4H6NO2- and a molecular weight of 100.10 g/mol.

Molecular Properties

Compound NameCID 88533496
PubChem CID88533496
Molecular FormulaC4H6NO2-
Molecular Weight100.10 g/mol
Exact Mass100.04
IUPAC Name—
SMILES[CH2-]N1CCOC1=O
InChIInChI=1S/C4H6NO2/c1-5-2-3-7-4(5)6/h1-3H2/q-1
InChIKeyPGVQVDWEGRQQCP-UHFFFAOYSA-N
XLogP0.23
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.10
LogP ≤ 50.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

oxo-bis(2-oxo-1,3-oxazolidin-3-yl)phosphanium
CID 10987777
3-[chloro-(2-oxo-1,3-oxazolidin-3-yl)phosphanyl]-1,3-oxazolidin-2-one
CID 11195784
3-(azepan-1-yl)-1,3-oxazolidin-2-one
CID 130355886
3-methylphosphanyloxy-1,3-oxazolidin-2-one
CID 59951361
2-oxo-1,3-oxazolidine-3-sulfonyl fluoride
CID 130225489
3-(aminomethyl)-1,3-oxazolidin-2-one;hydrochloride
CID 141105157
3-(2-aminopropan-2-yl)-1,3-oxazolidin-2-one
CID 145080919
2-oxo-1,3-oxazolidine-3-sulfonic acid;hydrochloride
CID 174886365
3-(2-iodoethyl)-1,3-oxazolidin-2-one
CID 575068
3-(2-bromoethyl)-1,3-oxazolidin-2-one
CID 22757234
3-(azetidin-1-yloxy)-1,3-oxazolidin-2-one
CID 18669399
oxo-[(2-oxo-1,3-oxazolidin-3-yl)oxy]phosphanium;hydrochloride
CID 172751084

Frequently Asked Questions

What is the IUPAC name of CID 88533496?
The IUPAC name of CID 88533496 (CID 88533496) is not available.
What is the SMILES notation for CID 88533496?
The canonical SMILES for CID 88533496 is [CH2-]N1CCOC1=O.
What is the InChIKey of CID 88533496?
The InChIKey is PGVQVDWEGRQQCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6NO2/c1-5-2-3-7-4(5)6/h1-3H2/q-1.
What are the key properties of CID 88533496?
CID 88533496 has a molecular weight of 100.10 g/mol, XLogP of 0.23, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 88533496 is sourced from PubChem (CID 88533496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).