(5Z)-5-(iodomethylidene)-3-(2-methoxyphenyl)-1,3-oxazolidin-2-one

C11H10INO3 — CID 170693877

IUPAC(5Z)-5-(iodomethylidene)-3-(2-methoxyphenyl)-1,3-oxazolidin-2-one
SMILESCOc1ccccc1N1C/C(=C/I)OC1=O
InChIInChI=1S/C11H10INO3/c1-15-10-5-3-2-4-9(10)13-7-8(6-12)16-11(13)14/h2-6H,7H2,1H3/b8-6-
InChIKeyXBDRYZJMUNZCSN-VURMDHGXSA-N
MW331.11 g/mol
LogP2.93
Rot. Bonds2

About (5Z)-5-(iodomethylidene)-3-(2-methoxyphenyl)-1,3-oxazolidin-2-one

(5Z)-5-(iodomethylidene)-3-(2-methoxyphenyl)-1,3-oxazolidin-2-one (PubChem CID 170693877) has the molecular formula C11H10INO3 and a molecular weight of 331.11 g/mol. Its IUPAC name is (5Z)-5-(iodomethylidene)-3-(2-methoxyphenyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(5Z)-5-(iodomethylidene)-3-(2-methoxyphenyl)-1,3-oxazolidin-2-one
PubChem CID170693877
Molecular FormulaC11H10INO3
Molecular Weight331.11 g/mol
Exact Mass330.97
IUPAC Name(5Z)-5-(iodomethylidene)-3-(2-methoxyphenyl)-1,3-oxazolidin-2-one
SMILESCOc1ccccc1N1C/C(=C/I)OC1=O
InChIInChI=1S/C11H10INO3/c1-15-10-5-3-2-4-9(10)13-7-8(6-12)16-11(13)14/h2-6H,7H2,1H3/b8-6-
InChIKeyXBDRYZJMUNZCSN-VURMDHGXSA-N
XLogP2.93
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.11
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 63779029
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CID 11016587
3-(2-methoxyphenyl)-6-oxa-3-azabicyclo[3.1.1]heptan-2-one
CID 84786579
1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxylic acid
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4-(2-methoxyphenyl)-2-methyl-5-oxomorpholine-2-carboxylic acid
CID 115068184
(3S)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl chloride
CID 94075915
5-(2-hydroxyethyl)-3-(2-methoxyphenyl)-1,3-oxazinan-2-one
CID 117011181
4-isocyanato-1-(2-methoxyphenyl)pyrrolidin-2-one
CID 82024637
1-(2-methoxyphenyl)-6-oxopiperidine-3-carboxylic acid
CID 62301551
1-(2-methoxyphenyl)-5-methylpiperazine-2,3-dione
CID 122715416
3-(2-methoxyphenyl)-5,5-dimethyl-1,3-oxazinane-2,4-dione
CID 134087367
(3S)-N-(4-iodophenyl)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 1260458

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-(iodomethylidene)-3-(2-methoxyphenyl)-1,3-oxazolidin-2-one?
The IUPAC name of (5Z)-5-(iodomethylidene)-3-(2-methoxyphenyl)-1,3-oxazolidin-2-one (CID 170693877) is (5Z)-5-(iodomethylidene)-3-(2-methoxyphenyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for (5Z)-5-(iodomethylidene)-3-(2-methoxyphenyl)-1,3-oxazolidin-2-one?
The canonical SMILES for (5Z)-5-(iodomethylidene)-3-(2-methoxyphenyl)-1,3-oxazolidin-2-one is COc1ccccc1N1C/C(=C/I)OC1=O.
What is the InChIKey of (5Z)-5-(iodomethylidene)-3-(2-methoxyphenyl)-1,3-oxazolidin-2-one?
The InChIKey is XBDRYZJMUNZCSN-VURMDHGXSA-N. The full InChI is InChI=1S/C11H10INO3/c1-15-10-5-3-2-4-9(10)13-7-8(6-12)16-11(13)14/h2-6H,7H2,1H3/b8-6-.
What are the key properties of (5Z)-5-(iodomethylidene)-3-(2-methoxyphenyl)-1,3-oxazolidin-2-one?
(5Z)-5-(iodomethylidene)-3-(2-methoxyphenyl)-1,3-oxazolidin-2-one has a molecular weight of 331.11 g/mol, XLogP of 2.93, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-(iodomethylidene)-3-(2-methoxyphenyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 170693877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).