(4R)-4-(cyclohexa-1,5-dien-1-ylmethyl)-1,3-oxazolidin-2-one

C10H13NO2 — CID 142056302

IUPAC(4R)-4-(cyclohexa-1,5-dien-1-ylmethyl)-1,3-oxazolidin-2-one
SMILESO=C1N[C@H](CC2=CCCC=C2)CO1
InChIInChI=1S/C10H13NO2/c12-10-11-9(7-13-10)6-8-4-2-1-3-5-8/h2,4-5,9H,1,3,6-7H2,(H,11,12)/t9-/m1/s1
InChIKeyLGXXOLUCUVZWCG-SECBINFHSA-N
MW179.22 g/mol
LogP1.76
Rot. Bonds2

About (4R)-4-(cyclohexa-1,5-dien-1-ylmethyl)-1,3-oxazolidin-2-one

(4R)-4-(cyclohexa-1,5-dien-1-ylmethyl)-1,3-oxazolidin-2-one (PubChem CID 142056302) has the molecular formula C10H13NO2 and a molecular weight of 179.22 g/mol. Its IUPAC name is (4R)-4-(cyclohexa-1,5-dien-1-ylmethyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R)-4-(cyclohexa-1,5-dien-1-ylmethyl)-1,3-oxazolidin-2-one
PubChem CID142056302
Molecular FormulaC10H13NO2
Molecular Weight179.22 g/mol
Exact Mass179.09
IUPAC Name(4R)-4-(cyclohexa-1,5-dien-1-ylmethyl)-1,3-oxazolidin-2-one
SMILESO=C1N[C@H](CC2=CCCC=C2)CO1
InChIInChI=1S/C10H13NO2/c12-10-11-9(7-13-10)6-8-4-2-1-3-5-8/h2,4-5,9H,1,3,6-7H2,(H,11,12)/t9-/m1/s1
InChIKeyLGXXOLUCUVZWCG-SECBINFHSA-N
XLogP1.76
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-(cyclohexa-1,5-dien-1-ylmethyl)-1,3-oxazolidin-2-one?
The IUPAC name of (4R)-4-(cyclohexa-1,5-dien-1-ylmethyl)-1,3-oxazolidin-2-one (CID 142056302) is (4R)-4-(cyclohexa-1,5-dien-1-ylmethyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R)-4-(cyclohexa-1,5-dien-1-ylmethyl)-1,3-oxazolidin-2-one?
The canonical SMILES for (4R)-4-(cyclohexa-1,5-dien-1-ylmethyl)-1,3-oxazolidin-2-one is O=C1N[C@H](CC2=CCCC=C2)CO1.
What is the InChIKey of (4R)-4-(cyclohexa-1,5-dien-1-ylmethyl)-1,3-oxazolidin-2-one?
The InChIKey is LGXXOLUCUVZWCG-SECBINFHSA-N. The full InChI is InChI=1S/C10H13NO2/c12-10-11-9(7-13-10)6-8-4-2-1-3-5-8/h2,4-5,9H,1,3,6-7H2,(H,11,12)/t9-/m1/s1.
What are the key properties of (4R)-4-(cyclohexa-1,5-dien-1-ylmethyl)-1,3-oxazolidin-2-one?
(4R)-4-(cyclohexa-1,5-dien-1-ylmethyl)-1,3-oxazolidin-2-one has a molecular weight of 179.22 g/mol, XLogP of 1.76, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(cyclohexa-1,5-dien-1-ylmethyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 142056302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).