3-[(1Z)-buta-1,3-dienyl]-4-propan-2-yl-1,3-oxazolidin-2-one

C10H15NO2 — CID 134917855

IUPAC3-[(1Z)-buta-1,3-dienyl]-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESC=C/C=C\N1C(=O)OCC1C(C)C
InChIInChI=1S/C10H15NO2/c1-4-5-6-11-9(8(2)3)7-13-10(11)12/h4-6,8-9H,1,7H2,2-3H3/b6-5-
InChIKeyCVYWIQWRVNMJJL-WAYWQWQTSA-N
MW181.24 g/mol
LogP2.16
Rot. Bonds3

About 3-[(1Z)-buta-1,3-dienyl]-4-propan-2-yl-1,3-oxazolidin-2-one

3-[(1Z)-buta-1,3-dienyl]-4-propan-2-yl-1,3-oxazolidin-2-one (PubChem CID 134917855) has the molecular formula C10H15NO2 and a molecular weight of 181.24 g/mol. Its IUPAC name is 3-[(1Z)-buta-1,3-dienyl]-4-propan-2-yl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[(1Z)-buta-1,3-dienyl]-4-propan-2-yl-1,3-oxazolidin-2-one
PubChem CID134917855
Molecular FormulaC10H15NO2
Molecular Weight181.24 g/mol
Exact Mass181.11
IUPAC Name3-[(1Z)-buta-1,3-dienyl]-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESC=C/C=C\N1C(=O)OCC1C(C)C
InChIInChI=1S/C10H15NO2/c1-4-5-6-11-9(8(2)3)7-13-10(11)12/h4-6,8-9H,1,7H2,2-3H3/b6-5-
InChIKeyCVYWIQWRVNMJJL-WAYWQWQTSA-N
XLogP2.16
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[(1Z)-buta-1,3-dienyl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The IUPAC name of 3-[(1Z)-buta-1,3-dienyl]-4-propan-2-yl-1,3-oxazolidin-2-one (CID 134917855) is 3-[(1Z)-buta-1,3-dienyl]-4-propan-2-yl-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[(1Z)-buta-1,3-dienyl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[(1Z)-buta-1,3-dienyl]-4-propan-2-yl-1,3-oxazolidin-2-one is C=C/C=C\N1C(=O)OCC1C(C)C.
What is the InChIKey of 3-[(1Z)-buta-1,3-dienyl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The InChIKey is CVYWIQWRVNMJJL-WAYWQWQTSA-N. The full InChI is InChI=1S/C10H15NO2/c1-4-5-6-11-9(8(2)3)7-13-10(11)12/h4-6,8-9H,1,7H2,2-3H3/b6-5-.
What are the key properties of 3-[(1Z)-buta-1,3-dienyl]-4-propan-2-yl-1,3-oxazolidin-2-one?
3-[(1Z)-buta-1,3-dienyl]-4-propan-2-yl-1,3-oxazolidin-2-one has a molecular weight of 181.24 g/mol, XLogP of 2.16, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1Z)-buta-1,3-dienyl]-4-propan-2-yl-1,3-oxazolidin-2-one is sourced from PubChem (CID 134917855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).