4-propa-1,2-dienylidene-1,3-oxazolidin-2-one

C6H5NO2 — CID 154926696

IUPAC4-propa-1,2-dienylidene-1,3-oxazolidin-2-one
SMILESC=C=C=C1COC(=O)N1
InChIInChI=1S/C6H5NO2/c1-2-3-5-4-9-6(8)7-5/h1,4H2,(H,7,8)
InChIKeyAYYPZRRHVNLFIY-UHFFFAOYSA-N
MW123.11 g/mol
LogP0.55
Rot. Bonds

About 4-propa-1,2-dienylidene-1,3-oxazolidin-2-one

4-propa-1,2-dienylidene-1,3-oxazolidin-2-one (PubChem CID 154926696) has the molecular formula C6H5NO2 and a molecular weight of 123.11 g/mol. Its IUPAC name is 4-propa-1,2-dienylidene-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name4-propa-1,2-dienylidene-1,3-oxazolidin-2-one
PubChem CID154926696
Molecular FormulaC6H5NO2
Molecular Weight123.11 g/mol
Exact Mass123.03
IUPAC Name4-propa-1,2-dienylidene-1,3-oxazolidin-2-one
SMILESC=C=C=C1COC(=O)N1
InChIInChI=1S/C6H5NO2/c1-2-3-5-4-9-6(8)7-5/h1,4H2,(H,7,8)
InChIKeyAYYPZRRHVNLFIY-UHFFFAOYSA-N
XLogP0.55
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.11
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-propa-1,2-dienylidene-1,3-oxazolidin-2-one?
The IUPAC name of 4-propa-1,2-dienylidene-1,3-oxazolidin-2-one (CID 154926696) is 4-propa-1,2-dienylidene-1,3-oxazolidin-2-one.
What is the SMILES notation for 4-propa-1,2-dienylidene-1,3-oxazolidin-2-one?
The canonical SMILES for 4-propa-1,2-dienylidene-1,3-oxazolidin-2-one is C=C=C=C1COC(=O)N1.
What is the InChIKey of 4-propa-1,2-dienylidene-1,3-oxazolidin-2-one?
The InChIKey is AYYPZRRHVNLFIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5NO2/c1-2-3-5-4-9-6(8)7-5/h1,4H2,(H,7,8).
What are the key properties of 4-propa-1,2-dienylidene-1,3-oxazolidin-2-one?
4-propa-1,2-dienylidene-1,3-oxazolidin-2-one has a molecular weight of 123.11 g/mol, XLogP of 0.55, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propa-1,2-dienylidene-1,3-oxazolidin-2-one is sourced from PubChem (CID 154926696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).