(4E,5E)-3-methyl-5-prop-2-enylidene-4-propylidene-1,3-oxazolidin-2-one

C10H13NO2 — CID 171626923

IUPAC(4E,5E)-3-methyl-5-prop-2-enylidene-4-propylidene-1,3-oxazolidin-2-one
SMILESC=C/C=c1/oc(=O)n(C)/c1=C/CC
InChIInChI=1S/C10H13NO2/c1-4-6-8-9(7-5-2)13-10(12)11(8)3/h5-7H,2,4H2,1,3H3/b8-6+,9-7+
InChIKeyDMDBWORINPAGSN-CDJQDVQCSA-N
MW179.22 g/mol
LogP0.14
Rot. Bonds2

About (4E,5E)-3-methyl-5-prop-2-enylidene-4-propylidene-1,3-oxazolidin-2-one

(4E,5E)-3-methyl-5-prop-2-enylidene-4-propylidene-1,3-oxazolidin-2-one (PubChem CID 171626923) has the molecular formula C10H13NO2 and a molecular weight of 179.22 g/mol. Its IUPAC name is (4E,5E)-3-methyl-5-prop-2-enylidene-4-propylidene-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4E,5E)-3-methyl-5-prop-2-enylidene-4-propylidene-1,3-oxazolidin-2-one
PubChem CID171626923
Molecular FormulaC10H13NO2
Molecular Weight179.22 g/mol
Exact Mass179.09
IUPAC Name(4E,5E)-3-methyl-5-prop-2-enylidene-4-propylidene-1,3-oxazolidin-2-one
SMILESC=C/C=c1/oc(=O)n(C)/c1=C/CC
InChIInChI=1S/C10H13NO2/c1-4-6-8-9(7-5-2)13-10(12)11(8)3/h5-7H,2,4H2,1,3H3/b8-6+,9-7+
InChIKeyDMDBWORINPAGSN-CDJQDVQCSA-N
XLogP0.14
TPSA35.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 50.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4E,5E)-3-methyl-5-prop-2-enylidene-4-propylidene-1,3-oxazolidin-2-one?
The IUPAC name of (4E,5E)-3-methyl-5-prop-2-enylidene-4-propylidene-1,3-oxazolidin-2-one (CID 171626923) is (4E,5E)-3-methyl-5-prop-2-enylidene-4-propylidene-1,3-oxazolidin-2-one.
What is the SMILES notation for (4E,5E)-3-methyl-5-prop-2-enylidene-4-propylidene-1,3-oxazolidin-2-one?
The canonical SMILES for (4E,5E)-3-methyl-5-prop-2-enylidene-4-propylidene-1,3-oxazolidin-2-one is C=C/C=c1/oc(=O)n(C)/c1=C/CC.
What is the InChIKey of (4E,5E)-3-methyl-5-prop-2-enylidene-4-propylidene-1,3-oxazolidin-2-one?
The InChIKey is DMDBWORINPAGSN-CDJQDVQCSA-N. The full InChI is InChI=1S/C10H13NO2/c1-4-6-8-9(7-5-2)13-10(12)11(8)3/h5-7H,2,4H2,1,3H3/b8-6+,9-7+.
What are the key properties of (4E,5E)-3-methyl-5-prop-2-enylidene-4-propylidene-1,3-oxazolidin-2-one?
(4E,5E)-3-methyl-5-prop-2-enylidene-4-propylidene-1,3-oxazolidin-2-one has a molecular weight of 179.22 g/mol, XLogP of 0.14, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4E,5E)-3-methyl-5-prop-2-enylidene-4-propylidene-1,3-oxazolidin-2-one is sourced from PubChem (CID 171626923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).