3-[(E)-3-(4-nitrophenyl)prop-2-enoyl]-1,3-oxazolidin-2-one

C12H10N2O5 — CID 10635185

IUPAC3-[(E)-3-(4-nitrophenyl)prop-2-enoyl]-1,3-oxazolidin-2-one
SMILESO=C(/C=C/c1ccc([N+](=O)[O-])cc1)N1CCOC1=O
InChIInChI=1S/C12H10N2O5/c15-11(13-7-8-19-12(13)16)6-3-9-1-4-10(5-2-9)14(17)18/h1-6H,7-8H2/b6-3+
InChIKeyUUIIKDDVGAUQHV-ZZXKWVIFSA-N
MW262.22 g/mol
LogP1.59
Rot. Bonds3

About 3-[(E)-3-(4-nitrophenyl)prop-2-enoyl]-1,3-oxazolidin-2-one

3-[(E)-3-(4-nitrophenyl)prop-2-enoyl]-1,3-oxazolidin-2-one (PubChem CID 10635185) has the molecular formula C12H10N2O5 and a molecular weight of 262.22 g/mol. Its IUPAC name is 3-[(E)-3-(4-nitrophenyl)prop-2-enoyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[(E)-3-(4-nitrophenyl)prop-2-enoyl]-1,3-oxazolidin-2-one
PubChem CID10635185
Molecular FormulaC12H10N2O5
Molecular Weight262.22 g/mol
Exact Mass262.06
IUPAC Name3-[(E)-3-(4-nitrophenyl)prop-2-enoyl]-1,3-oxazolidin-2-one
SMILESO=C(/C=C/c1ccc([N+](=O)[O-])cc1)N1CCOC1=O
InChIInChI=1S/C12H10N2O5/c15-11(13-7-8-19-12(13)16)6-3-9-1-4-10(5-2-9)14(17)18/h1-6H,7-8H2/b6-3+
InChIKeyUUIIKDDVGAUQHV-ZZXKWVIFSA-N
XLogP1.59
TPSA89.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.22
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

F0146-0001
CID 682151
Morpholine, 4-(o-nitrocinnamoyl)-, (E)-
CID 759082
(2-morpholin-4-yl-2-oxoethyl) (E)-3-(4-nitrophenyl)prop-2-enoate
CID 2085740
(2-oxo-2-pyrrolidin-1-ylethyl) (E)-3-(4-nitrophenyl)prop-2-enoate
CID 2376914
5-(Chloromethyl)-3-{4-nitrobenzyl}-1,3-oxazolidin-2-one
CID 11837264
Ethyl 4-[3-(4-nitrophenyl)acryloyl]-1-piperazinecarboxylate
CID 875137
4-[(4-Nitrophenyl)methyl]-1-oxa-4-azaspiro[4.5]deca-6,9-diene-3,8-dione
CID 168273222
(2-oxo-2-pyrrolidin-1-ylethyl) (E)-3-(2-nitrophenyl)prop-2-enoate
CID 2125101
1-[(E)-3-(4-nitrophenyl)prop-2-enoyl]-2,3-dihydropyridin-6-one
CID 118689458
2-[(5E)-5-[(4-nitrophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetic acid
CID 1201074
(S)-2,2-dimethyl-4-[(E)-2-(4-nitro-phenyl)-vinyl]-oxazolidine-3-carboxylic acid tert-butyl ester
CID 66705805
tert-butyl (4S)-2,2-dimethyl-4-[(Z)-2-(4-nitrophenyl)ethenyl]-1,3-oxazolidine-3-carboxylate
CID 101887264

Frequently Asked Questions

What is the IUPAC name of 3-[(E)-3-(4-nitrophenyl)prop-2-enoyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[(E)-3-(4-nitrophenyl)prop-2-enoyl]-1,3-oxazolidin-2-one (CID 10635185) is 3-[(E)-3-(4-nitrophenyl)prop-2-enoyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[(E)-3-(4-nitrophenyl)prop-2-enoyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[(E)-3-(4-nitrophenyl)prop-2-enoyl]-1,3-oxazolidin-2-one is O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N1CCOC1=O.
What is the InChIKey of 3-[(E)-3-(4-nitrophenyl)prop-2-enoyl]-1,3-oxazolidin-2-one?
The InChIKey is UUIIKDDVGAUQHV-ZZXKWVIFSA-N. The full InChI is InChI=1S/C12H10N2O5/c15-11(13-7-8-19-12(13)16)6-3-9-1-4-10(5-2-9)14(17)18/h1-6H,7-8H2/b6-3+.
What are the key properties of 3-[(E)-3-(4-nitrophenyl)prop-2-enoyl]-1,3-oxazolidin-2-one?
3-[(E)-3-(4-nitrophenyl)prop-2-enoyl]-1,3-oxazolidin-2-one has a molecular weight of 262.22 g/mol, XLogP of 1.59, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-3-(4-nitrophenyl)prop-2-enoyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 10635185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).