4-methylidene-3-pyrrolidin-1-yl-1,3-oxazolidin-2-one

C8H12N2O2 — CID 69310532

IUPAC4-methylidene-3-pyrrolidin-1-yl-1,3-oxazolidin-2-one
SMILESC=C1COC(=O)N1N1CCCC1
InChIInChI=1S/C8H12N2O2/c1-7-6-12-8(11)10(7)9-4-2-3-5-9/h1-6H2
InChIKeyBDYSUUOVMMSUQO-UHFFFAOYSA-N
MW168.20 g/mol
LogP0.96
Rot. Bonds1

About 4-methylidene-3-pyrrolidin-1-yl-1,3-oxazolidin-2-one

4-methylidene-3-pyrrolidin-1-yl-1,3-oxazolidin-2-one (PubChem CID 69310532) has the molecular formula C8H12N2O2 and a molecular weight of 168.20 g/mol. Its IUPAC name is 4-methylidene-3-pyrrolidin-1-yl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name4-methylidene-3-pyrrolidin-1-yl-1,3-oxazolidin-2-one
PubChem CID69310532
Molecular FormulaC8H12N2O2
Molecular Weight168.20 g/mol
Exact Mass168.09
IUPAC Name4-methylidene-3-pyrrolidin-1-yl-1,3-oxazolidin-2-one
SMILESC=C1COC(=O)N1N1CCCC1
InChIInChI=1S/C8H12N2O2/c1-7-6-12-8(11)10(7)9-4-2-3-5-9/h1-6H2
InChIKeyBDYSUUOVMMSUQO-UHFFFAOYSA-N
XLogP0.96
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 50.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-piperidin-1-ylimidazolidine-2,4-dione
CID 107842327
3-(azepan-1-yl)-1,3-oxazolidin-2-one
CID 130355886
2-methylidene-1,3,5,6,7,8-hexahydropyrazolo[1,2-a]pyridazine
CID 59030492
CID 174856842
CID 174856842
2,3,4,7,8,9-hexahydro-1H-pyridazino[1,2-a]diazepine-6,10-dione
CID 58356997
3-azido-1,3-oxazolidine-2,4-dione
CID 69315793
ethane;tris(1-methylazepane);1-methyl-2-methylideneazepane;bis(1-methylpiperidine);1-methylpiperidin-2-one;1-methylpyrrolidine;1-methylpyrrolidin-2-one
CID 160509410
3-dimethylsilyl-1,3-oxazolidine-2,4-dione
CID 174398104
argon;carbanide;1-methylpiperidin-2-one;yttrium
CID 162062562
1-nitrosoazecan-2-one
CID 14270809
1-methylpyrrolidin-2-one;oxetane
CID 170438379
7-methyl-1,7-diazacyclotridecan-8-one
CID 70065452

Frequently Asked Questions

What is the IUPAC name of 4-methylidene-3-pyrrolidin-1-yl-1,3-oxazolidin-2-one?
The IUPAC name of 4-methylidene-3-pyrrolidin-1-yl-1,3-oxazolidin-2-one (CID 69310532) is 4-methylidene-3-pyrrolidin-1-yl-1,3-oxazolidin-2-one.
What is the SMILES notation for 4-methylidene-3-pyrrolidin-1-yl-1,3-oxazolidin-2-one?
The canonical SMILES for 4-methylidene-3-pyrrolidin-1-yl-1,3-oxazolidin-2-one is C=C1COC(=O)N1N1CCCC1.
What is the InChIKey of 4-methylidene-3-pyrrolidin-1-yl-1,3-oxazolidin-2-one?
The InChIKey is BDYSUUOVMMSUQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2/c1-7-6-12-8(11)10(7)9-4-2-3-5-9/h1-6H2.
What are the key properties of 4-methylidene-3-pyrrolidin-1-yl-1,3-oxazolidin-2-one?
4-methylidene-3-pyrrolidin-1-yl-1,3-oxazolidin-2-one has a molecular weight of 168.20 g/mol, XLogP of 0.96, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylidene-3-pyrrolidin-1-yl-1,3-oxazolidin-2-one is sourced from PubChem (CID 69310532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).