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

C12H10ClNO3 — CID 11242185

IUPAC3-[(E)-3-(4-chlorophenyl)prop-2-enoyl]-1,3-oxazolidin-2-one
SMILESO=C(/C=C/c1ccc(Cl)cc1)N1CCOC1=O
InChIInChI=1S/C12H10ClNO3/c13-10-4-1-9(2-5-10)3-6-11(15)14-7-8-17-12(14)16/h1-6H,7-8H2/b6-3+
InChIKeyCUIPLONQAFMAPN-ZZXKWVIFSA-N
MW251.67 g/mol
LogP2.33
Rot. Bonds2

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

3-[(E)-3-(4-chlorophenyl)prop-2-enoyl]-1,3-oxazolidin-2-one (PubChem CID 11242185) has the molecular formula C12H10ClNO3 and a molecular weight of 251.67 g/mol. Its IUPAC name is 3-[(E)-3-(4-chlorophenyl)prop-2-enoyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[(E)-3-(4-chlorophenyl)prop-2-enoyl]-1,3-oxazolidin-2-one
PubChem CID11242185
Molecular FormulaC12H10ClNO3
Molecular Weight251.67 g/mol
Exact Mass251.03
IUPAC Name3-[(E)-3-(4-chlorophenyl)prop-2-enoyl]-1,3-oxazolidin-2-one
SMILESO=C(/C=C/c1ccc(Cl)cc1)N1CCOC1=O
InChIInChI=1S/C12H10ClNO3/c13-10-4-1-9(2-5-10)3-6-11(15)14-7-8-17-12(14)16/h1-6H,7-8H2/b6-3+
InChIKeyCUIPLONQAFMAPN-ZZXKWVIFSA-N
XLogP2.33
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.67
LogP ≤ 52.33
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

3-[3-(4-chlorophenyl)prop-2-enoyl]-1,3-oxazolidin-2-one
CID 72765876
3-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]-1,3-oxazolidin-2-one
CID 142842409
3-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]-1,3-oxazolidin-2-one
CID 6070620
3-[(E)-3-(4-chloro-2-fluorophenyl)prop-2-enoyl]-1,3-oxazolidin-2-one
CID 138660057
3-[2-(4-chlorophenyl)acetyl]-1,3-oxazolidin-2-one
CID 102525452
1-[3-(4-chlorophenyl)prop-2-enoyl]piperidin-4-one
CID 54478992
[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] (E)-3-(3-chloro-4-fluorophenyl)prop-2-enoate
CID 8942774
3-[(E)-3-(furan-2-yl)prop-2-enoyl]-1,3-oxazolidin-2-one
CID 139256760
1-(4-chlorophenyl)-2-(2-oxo-1,3-oxazolidin-3-yl)ethane-1,2-dione
CID 121006003
(E)-3-(4-chlorophenyl)-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)prop-2-en-1-one
CID 35370579
4-nitro-N-[4-[(E)-3-oxo-3-(2-oxo-1,3-oxazolidin-3-yl)prop-1-enyl]phenyl]benzenesulfonamide
CID 142842405
4-[3-(4-chlorophenyl)prop-2-enoyl]piperazine-2,6-dione
CID 77111374

Frequently Asked Questions

What is the IUPAC name of 3-[(E)-3-(4-chlorophenyl)prop-2-enoyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[(E)-3-(4-chlorophenyl)prop-2-enoyl]-1,3-oxazolidin-2-one (CID 11242185) is 3-[(E)-3-(4-chlorophenyl)prop-2-enoyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[(E)-3-(4-chlorophenyl)prop-2-enoyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[(E)-3-(4-chlorophenyl)prop-2-enoyl]-1,3-oxazolidin-2-one is O=C(/C=C/c1ccc(Cl)cc1)N1CCOC1=O.
What is the InChIKey of 3-[(E)-3-(4-chlorophenyl)prop-2-enoyl]-1,3-oxazolidin-2-one?
The InChIKey is CUIPLONQAFMAPN-ZZXKWVIFSA-N. The full InChI is InChI=1S/C12H10ClNO3/c13-10-4-1-9(2-5-10)3-6-11(15)14-7-8-17-12(14)16/h1-6H,7-8H2/b6-3+.
What are the key properties of 3-[(E)-3-(4-chlorophenyl)prop-2-enoyl]-1,3-oxazolidin-2-one?
3-[(E)-3-(4-chlorophenyl)prop-2-enoyl]-1,3-oxazolidin-2-one has a molecular weight of 251.67 g/mol, XLogP of 2.33, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-3-(4-chlorophenyl)prop-2-enoyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 11242185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).