(5E)-4-methylidene-5-(4-methylpent-1-en-3-ylidene)-1,3-oxazolidin-2-one

C10H13NO2 — CID 170141505

IUPAC(5E)-4-methylidene-5-(4-methylpent-1-en-3-ylidene)-1,3-oxazolidin-2-one
SMILESC=C/C(=c1/oc(=O)[nH]c1=C)C(C)C
InChIInChI=1S/C10H13NO2/c1-5-8(6(2)3)9-7(4)11-10(12)13-9/h5-6H,1,4H2,2-3H3,(H,11,12)/b9-8-
InChIKeyZTLXLMPQOZSJIY-HJWRWDBZSA-N
MW179.22 g/mol
LogP0.37
Rot. Bonds2

About (5E)-4-methylidene-5-(4-methylpent-1-en-3-ylidene)-1,3-oxazolidin-2-one

(5E)-4-methylidene-5-(4-methylpent-1-en-3-ylidene)-1,3-oxazolidin-2-one (PubChem CID 170141505) has the molecular formula C10H13NO2 and a molecular weight of 179.22 g/mol. Its IUPAC name is (5E)-4-methylidene-5-(4-methylpent-1-en-3-ylidene)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(5E)-4-methylidene-5-(4-methylpent-1-en-3-ylidene)-1,3-oxazolidin-2-one
PubChem CID170141505
Molecular FormulaC10H13NO2
Molecular Weight179.22 g/mol
Exact Mass179.09
IUPAC Name(5E)-4-methylidene-5-(4-methylpent-1-en-3-ylidene)-1,3-oxazolidin-2-one
SMILESC=C/C(=c1/oc(=O)[nH]c1=C)C(C)C
InChIInChI=1S/C10H13NO2/c1-5-8(6(2)3)9-7(4)11-10(12)13-9/h5-6H,1,4H2,2-3H3,(H,11,12)/b9-8-
InChIKeyZTLXLMPQOZSJIY-HJWRWDBZSA-N
XLogP0.37
TPSA46.00 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5E)-4-methylidene-5-(4-methylpent-1-en-3-ylidene)-1,3-oxazolidin-2-one?
The IUPAC name of (5E)-4-methylidene-5-(4-methylpent-1-en-3-ylidene)-1,3-oxazolidin-2-one (CID 170141505) is (5E)-4-methylidene-5-(4-methylpent-1-en-3-ylidene)-1,3-oxazolidin-2-one.
What is the SMILES notation for (5E)-4-methylidene-5-(4-methylpent-1-en-3-ylidene)-1,3-oxazolidin-2-one?
The canonical SMILES for (5E)-4-methylidene-5-(4-methylpent-1-en-3-ylidene)-1,3-oxazolidin-2-one is C=C/C(=c1/oc(=O)[nH]c1=C)C(C)C.
What is the InChIKey of (5E)-4-methylidene-5-(4-methylpent-1-en-3-ylidene)-1,3-oxazolidin-2-one?
The InChIKey is ZTLXLMPQOZSJIY-HJWRWDBZSA-N. The full InChI is InChI=1S/C10H13NO2/c1-5-8(6(2)3)9-7(4)11-10(12)13-9/h5-6H,1,4H2,2-3H3,(H,11,12)/b9-8-.
What are the key properties of (5E)-4-methylidene-5-(4-methylpent-1-en-3-ylidene)-1,3-oxazolidin-2-one?
(5E)-4-methylidene-5-(4-methylpent-1-en-3-ylidene)-1,3-oxazolidin-2-one has a molecular weight of 179.22 g/mol, XLogP of 0.37, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-4-methylidene-5-(4-methylpent-1-en-3-ylidene)-1,3-oxazolidin-2-one is sourced from PubChem (CID 170141505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).