3-chloro-4-prop-2-enyl-1,3-oxazolidin-2-one

C6H8ClNO2 — CID 100956324

IUPAC3-chloro-4-prop-2-enyl-1,3-oxazolidin-2-one
SMILESC=CCC1COC(=O)N1Cl
InChIInChI=1S/C6H8ClNO2/c1-2-3-5-4-10-6(9)8(5)7/h2,5H,1,3-4H2
InChIKeyLAUAQOAWGUVWFM-UHFFFAOYSA-N
MW161.59 g/mol
LogP1.54
Rot. Bonds2

About 3-chloro-4-prop-2-enyl-1,3-oxazolidin-2-one

3-chloro-4-prop-2-enyl-1,3-oxazolidin-2-one (PubChem CID 100956324) has the molecular formula C6H8ClNO2 and a molecular weight of 161.59 g/mol. Its IUPAC name is 3-chloro-4-prop-2-enyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-chloro-4-prop-2-enyl-1,3-oxazolidin-2-one
PubChem CID100956324
Molecular FormulaC6H8ClNO2
Molecular Weight161.59 g/mol
Exact Mass161.02
IUPAC Name3-chloro-4-prop-2-enyl-1,3-oxazolidin-2-one
SMILESC=CCC1COC(=O)N1Cl
InChIInChI=1S/C6H8ClNO2/c1-2-3-5-4-10-6(9)8(5)7/h2,5H,1,3-4H2
InChIKeyLAUAQOAWGUVWFM-UHFFFAOYSA-N
XLogP1.54
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.59
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}

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Related Compounds

3-Hex-5-en-3-yl-1,3-oxazolidin-2-one
CID 10678717
(4R)-4-prop-2-enyl-1,3-oxazolidin-2-one
CID 640427
4-Prop-2-enyl-1,3-oxazolidin-2-one
CID 21673737
3-(Iodomethyl)-4-prop-2-enyl-1,3-oxazolidin-2-one
CID 142625411
(4S)-4-prop-2-enyl-1,3-oxazolidin-2-one
CID 44220034
4-But-3-enyl-3-chloro-1,3-oxazolidin-2-one
CID 100956325

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-prop-2-enyl-1,3-oxazolidin-2-one?
The IUPAC name of 3-chloro-4-prop-2-enyl-1,3-oxazolidin-2-one (CID 100956324) is 3-chloro-4-prop-2-enyl-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-chloro-4-prop-2-enyl-1,3-oxazolidin-2-one?
The canonical SMILES for 3-chloro-4-prop-2-enyl-1,3-oxazolidin-2-one is C=CCC1COC(=O)N1Cl.
What is the InChIKey of 3-chloro-4-prop-2-enyl-1,3-oxazolidin-2-one?
The InChIKey is LAUAQOAWGUVWFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8ClNO2/c1-2-3-5-4-10-6(9)8(5)7/h2,5H,1,3-4H2.
What are the key properties of 3-chloro-4-prop-2-enyl-1,3-oxazolidin-2-one?
3-chloro-4-prop-2-enyl-1,3-oxazolidin-2-one has a molecular weight of 161.59 g/mol, XLogP of 1.54, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-prop-2-enyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 100956324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).