ethane;5-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-3-propan-2-yl-1,3-oxazolidin-2-one

C15H25NO2 — CID 142623214

IUPACethane;5-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-3-propan-2-yl-1,3-oxazolidin-2-one
SMILESC=C/C=C\C=C(/C)C1CN(C(C)C)C(=O)O1.CC
InChIInChI=1S/C13H19NO2.C2H6/c1-5-6-7-8-11(4)12-9-14(10(2)3)13(15)16-12;1-2/h5-8,10,12H,1,9H2,2-4H3;1-2H3/b7-6-,11-8+;
InChIKeyBMABSRNKSCZZCQ-DWROGWBBSA-N
MW251.37 g/mol
LogP3.93
Rot. Bonds4

About ethane;5-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-3-propan-2-yl-1,3-oxazolidin-2-one

ethane;5-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-3-propan-2-yl-1,3-oxazolidin-2-one (PubChem CID 142623214) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is ethane;5-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-3-propan-2-yl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Nameethane;5-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-3-propan-2-yl-1,3-oxazolidin-2-one
PubChem CID142623214
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Nameethane;5-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-3-propan-2-yl-1,3-oxazolidin-2-one
SMILESC=C/C=C\C=C(/C)C1CN(C(C)C)C(=O)O1.CC
InChIInChI=1S/C13H19NO2.C2H6/c1-5-6-7-8-11(4)12-9-14(10(2)3)13(15)16-12;1-2/h5-8,10,12H,1,9H2,2-4H3;1-2H3/b7-6-,11-8+;
InChIKeyBMABSRNKSCZZCQ-DWROGWBBSA-N
XLogP3.93
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(5S)-5-methyl-3-propan-2-yl-1,3-oxazolidin-2-one
CID 15320772
(5R)-5-methyl-3-propan-2-yl-1,3-oxazolidin-2-one
CID 142143749
(5R)-5-(hydroxymethyl)-3-propan-2-yl-1,3-oxazolidin-2-one
CID 2793991
5-ethyl-3-propan-2-yl-1,3-oxazolidin-2-one
CID 45096024
5-(bromomethyl)-3-[(2E,5Z)-octa-2,5,7-trien-2-yl]-1,3-oxazolidin-2-one;ethane
CID 143838433
1-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-4-methylcyclohexane
CID 143379615
5-methyl-3-propan-2-yl-1,3-oxazinan-2-one
CID 156532561
3-[1-(4-bromophenyl)ethyl]-5-prop-2-enyl-1,3-oxazolidin-2-one
CID 143865775
2-oxo-3-propan-2-yl-1,3-oxazinane-5-carboxylic acid
CID 83847070
2,6-dimethyl-4-[(2E)-penta-2,4-dien-2-yl]morpholine;ethane
CID 143325399
(3Z,5Z)-6,8-dimethylnona-1,3,5-triene;ethane
CID 145049129
(5S)-5-(4-chlorobenzoyl)-3-[(1R)-1-phenylethyl]-1,3-oxazolidin-2-one
CID 11099554

Frequently Asked Questions

What is the IUPAC name of ethane;5-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-3-propan-2-yl-1,3-oxazolidin-2-one?
The IUPAC name of ethane;5-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-3-propan-2-yl-1,3-oxazolidin-2-one (CID 142623214) is ethane;5-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-3-propan-2-yl-1,3-oxazolidin-2-one.
What is the SMILES notation for ethane;5-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-3-propan-2-yl-1,3-oxazolidin-2-one?
The canonical SMILES for ethane;5-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-3-propan-2-yl-1,3-oxazolidin-2-one is C=C/C=C\C=C(/C)C1CN(C(C)C)C(=O)O1.CC.
What is the InChIKey of ethane;5-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-3-propan-2-yl-1,3-oxazolidin-2-one?
The InChIKey is BMABSRNKSCZZCQ-DWROGWBBSA-N. The full InChI is InChI=1S/C13H19NO2.C2H6/c1-5-6-7-8-11(4)12-9-14(10(2)3)13(15)16-12;1-2/h5-8,10,12H,1,9H2,2-4H3;1-2H3/b7-6-,11-8+;.
What are the key properties of ethane;5-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-3-propan-2-yl-1,3-oxazolidin-2-one?
ethane;5-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-3-propan-2-yl-1,3-oxazolidin-2-one has a molecular weight of 251.37 g/mol, XLogP of 3.93, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-3-propan-2-yl-1,3-oxazolidin-2-one is sourced from PubChem (CID 142623214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).