3-[(E)-1-naphthalen-1-yl-1-oxobut-2-en-2-yl]-1,3-oxazolidin-2-one

C17H15NO3 — CID 177441765

IUPAC3-[(E)-1-naphthalen-1-yl-1-oxobut-2-en-2-yl]-1,3-oxazolidin-2-one
SMILESC/C=C(\C(=O)c1cccc2ccccc12)N1CCOC1=O
InChIInChI=1S/C17H15NO3/c1-2-15(18-10-11-21-17(18)20)16(19)14-9-5-7-12-6-3-4-8-13(12)14/h2-9H,10-11H2,1H3/b15-2+
InChIKeyVTSXRGRHQPXJHL-RSSMCMFDSA-N
MW281.31 g/mol
LogP3.38
Rot. Bonds3

About 3-[(E)-1-naphthalen-1-yl-1-oxobut-2-en-2-yl]-1,3-oxazolidin-2-one

3-[(E)-1-naphthalen-1-yl-1-oxobut-2-en-2-yl]-1,3-oxazolidin-2-one (PubChem CID 177441765) has the molecular formula C17H15NO3 and a molecular weight of 281.31 g/mol. Its IUPAC name is 3-[(E)-1-naphthalen-1-yl-1-oxobut-2-en-2-yl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[(E)-1-naphthalen-1-yl-1-oxobut-2-en-2-yl]-1,3-oxazolidin-2-one
PubChem CID177441765
Molecular FormulaC17H15NO3
Molecular Weight281.31 g/mol
Exact Mass281.11
IUPAC Name3-[(E)-1-naphthalen-1-yl-1-oxobut-2-en-2-yl]-1,3-oxazolidin-2-one
SMILESC/C=C(\C(=O)c1cccc2ccccc12)N1CCOC1=O
InChIInChI=1S/C17H15NO3/c1-2-15(18-10-11-21-17(18)20)16(19)14-9-5-7-12-6-3-4-8-13(12)14/h2-9H,10-11H2,1H3/b15-2+
InChIKeyVTSXRGRHQPXJHL-RSSMCMFDSA-N
XLogP3.38
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2,3-dihydro-1,4-benzoxazin-4-yl(naphthalen-1-yl)methanone
CID 46299935
3-[2-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]acetyl]-1,3-oxazolidin-2-one
CID 8804709
1,3-dinaphthalen-1-ylpropane-1,2,3-trione
CID 67892351
N-naphthalen-1-yl-4-(2-oxo-1,3-oxazolidin-3-yl)benzamide
CID 46460042
3,6-dioxabicyclo[6.2.2]dodeca-1(10),8,11-triene-2,7-dione;ethene;naphthalene-1-carboxylic acid
CID 158672923
1-naphthalen-1-ylbutane-1,2-dione
CID 139265593
3-[2-(2-methoxyphenyl)prop-2-enoyl]-1,3-oxazolidin-2-one
CID 71615334
1-naphthalen-1-ylpentane-1,2-dione
CID 69248581
naphthalen-1-yl(9-oxa-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-3-yl)methanone
CID 154179948
tris(naphthalene-1-carboxylic acid);phosphane
CID 172834804
methanolate;bis(naphthalene-1-carboxylic acid);titanium(2+)
CID 91869033
3-[(E)-pent-2-enoyl]-1,3-oxazolidin-2-one;toluene
CID 142842352

Frequently Asked Questions

What is the IUPAC name of 3-[(E)-1-naphthalen-1-yl-1-oxobut-2-en-2-yl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[(E)-1-naphthalen-1-yl-1-oxobut-2-en-2-yl]-1,3-oxazolidin-2-one (CID 177441765) is 3-[(E)-1-naphthalen-1-yl-1-oxobut-2-en-2-yl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[(E)-1-naphthalen-1-yl-1-oxobut-2-en-2-yl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[(E)-1-naphthalen-1-yl-1-oxobut-2-en-2-yl]-1,3-oxazolidin-2-one is C/C=C(\C(=O)c1cccc2ccccc12)N1CCOC1=O.
What is the InChIKey of 3-[(E)-1-naphthalen-1-yl-1-oxobut-2-en-2-yl]-1,3-oxazolidin-2-one?
The InChIKey is VTSXRGRHQPXJHL-RSSMCMFDSA-N. The full InChI is InChI=1S/C17H15NO3/c1-2-15(18-10-11-21-17(18)20)16(19)14-9-5-7-12-6-3-4-8-13(12)14/h2-9H,10-11H2,1H3/b15-2+.
What are the key properties of 3-[(E)-1-naphthalen-1-yl-1-oxobut-2-en-2-yl]-1,3-oxazolidin-2-one?
3-[(E)-1-naphthalen-1-yl-1-oxobut-2-en-2-yl]-1,3-oxazolidin-2-one has a molecular weight of 281.31 g/mol, XLogP of 3.38, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-1-naphthalen-1-yl-1-oxobut-2-en-2-yl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 177441765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).