(4S)-4-cyclohexa-2,4-dien-1-yl-1,3-oxazolidin-2-one

C9H11NO2 — CID 89326941

IUPAC(4S)-4-cyclohexa-2,4-dien-1-yl-1,3-oxazolidin-2-one
SMILESO=C1N[C@@H](C2C=CC=CC2)CO1
InChIInChI=1S/C9H11NO2/c11-9-10-8(6-12-9)7-4-2-1-3-5-7/h1-4,7-8H,5-6H2,(H,10,11)/t7?,8-/m1/s1
InChIKeyKLOMSPAAEACJEO-BRFYHDHCSA-N
MW165.19 g/mol
LogP1.23
Rot. Bonds1

About (4S)-4-cyclohexa-2,4-dien-1-yl-1,3-oxazolidin-2-one

(4S)-4-cyclohexa-2,4-dien-1-yl-1,3-oxazolidin-2-one (PubChem CID 89326941) has the molecular formula C9H11NO2 and a molecular weight of 165.19 g/mol. Its IUPAC name is (4S)-4-cyclohexa-2,4-dien-1-yl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-4-cyclohexa-2,4-dien-1-yl-1,3-oxazolidin-2-one
PubChem CID89326941
Molecular FormulaC9H11NO2
Molecular Weight165.19 g/mol
Exact Mass165.08
IUPAC Name(4S)-4-cyclohexa-2,4-dien-1-yl-1,3-oxazolidin-2-one
SMILESO=C1N[C@@H](C2C=CC=CC2)CO1
InChIInChI=1S/C9H11NO2/c11-9-10-8(6-12-9)7-4-2-1-3-5-7/h1-4,7-8H,5-6H2,(H,10,11)/t7?,8-/m1/s1
InChIKeyKLOMSPAAEACJEO-BRFYHDHCSA-N
XLogP1.23
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.19
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-cyclohexa-2,4-dien-1-yl-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-4-cyclohexa-2,4-dien-1-yl-1,3-oxazolidin-2-one (CID 89326941) is (4S)-4-cyclohexa-2,4-dien-1-yl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-4-cyclohexa-2,4-dien-1-yl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-4-cyclohexa-2,4-dien-1-yl-1,3-oxazolidin-2-one is O=C1N[C@@H](C2C=CC=CC2)CO1.
What is the InChIKey of (4S)-4-cyclohexa-2,4-dien-1-yl-1,3-oxazolidin-2-one?
The InChIKey is KLOMSPAAEACJEO-BRFYHDHCSA-N. The full InChI is InChI=1S/C9H11NO2/c11-9-10-8(6-12-9)7-4-2-1-3-5-7/h1-4,7-8H,5-6H2,(H,10,11)/t7?,8-/m1/s1.
What are the key properties of (4S)-4-cyclohexa-2,4-dien-1-yl-1,3-oxazolidin-2-one?
(4S)-4-cyclohexa-2,4-dien-1-yl-1,3-oxazolidin-2-one has a molecular weight of 165.19 g/mol, XLogP of 1.23, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-cyclohexa-2,4-dien-1-yl-1,3-oxazolidin-2-one is sourced from PubChem (CID 89326941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).