4-cyclohexa-1,5-dien-1-yl-1,3-oxazolidin-2-one

C9H11NO2 — CID 123859347

IUPAC4-cyclohexa-1,5-dien-1-yl-1,3-oxazolidin-2-one
SMILESO=C1NC(C2=CCCC=C2)CO1
InChIInChI=1S/C9H11NO2/c11-9-10-8(6-12-9)7-4-2-1-3-5-7/h2,4-5,8H,1,3,6H2,(H,10,11)
InChIKeyHBJUOBQRNFLPQF-UHFFFAOYSA-N
MW165.19 g/mol
LogP1.37
Rot. Bonds1

About 4-cyclohexa-1,5-dien-1-yl-1,3-oxazolidin-2-one

4-cyclohexa-1,5-dien-1-yl-1,3-oxazolidin-2-one (PubChem CID 123859347) has the molecular formula C9H11NO2 and a molecular weight of 165.19 g/mol. Its IUPAC name is 4-cyclohexa-1,5-dien-1-yl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name4-cyclohexa-1,5-dien-1-yl-1,3-oxazolidin-2-one
PubChem CID123859347
Molecular FormulaC9H11NO2
Molecular Weight165.19 g/mol
Exact Mass165.08
IUPAC Name4-cyclohexa-1,5-dien-1-yl-1,3-oxazolidin-2-one
SMILESO=C1NC(C2=CCCC=C2)CO1
InChIInChI=1S/C9H11NO2/c11-9-10-8(6-12-9)7-4-2-1-3-5-7/h2,4-5,8H,1,3,6H2,(H,10,11)
InChIKeyHBJUOBQRNFLPQF-UHFFFAOYSA-N
XLogP1.37
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 ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4S)-4-(2-Methyl-1-propen-1-yl)-2-oxazolidinone
CID 12167157
(4S)-4-[(2R)-4-methylpent-3-en-2-yl]-1,3-oxazolidin-2-one
CID 101175355
4-(Oxomethylidene)-3,3a-dihydro-1,3-benzoxazol-2-one
CID 123564318
(4S)-4-(3-methylbut-2-enyl)-1,3-oxazolidin-2-one
CID 162410724
6-ethyl-3a,7a-dihydro-3H-1,3-benzoxazol-2-one
CID 68345615
4-(2-Methylprop-1-enyl)-1,3-oxazolidin-2-one
CID 85435878
lithium (4S)-4-(phenylmethyl)-1,3-oxazolidin-2-one
CID 88415529
6-methyl-3a,7a-dihydro-3H-1,3-benzoxazol-2-one
CID 89199092
(4S)-4-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-1,3-oxazolidin-2-one
CID 89265464
(4S)-4-cyclohexa-2,4-dien-1-yl-1,3-oxazolidin-2-one
CID 89326941
4-(2-Methylbut-2-enyl)-1,3-oxazolidin-2-one
CID 90830770
4-(3,3-Dimethylbut-1-enyl)-1,3-oxazolidin-2-one
CID 123173596

Frequently Asked Questions

What is the IUPAC name of 4-cyclohexa-1,5-dien-1-yl-1,3-oxazolidin-2-one?
The IUPAC name of 4-cyclohexa-1,5-dien-1-yl-1,3-oxazolidin-2-one (CID 123859347) is 4-cyclohexa-1,5-dien-1-yl-1,3-oxazolidin-2-one.
What is the SMILES notation for 4-cyclohexa-1,5-dien-1-yl-1,3-oxazolidin-2-one?
The canonical SMILES for 4-cyclohexa-1,5-dien-1-yl-1,3-oxazolidin-2-one is O=C1NC(C2=CCCC=C2)CO1.
What is the InChIKey of 4-cyclohexa-1,5-dien-1-yl-1,3-oxazolidin-2-one?
The InChIKey is HBJUOBQRNFLPQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO2/c11-9-10-8(6-12-9)7-4-2-1-3-5-7/h2,4-5,8H,1,3,6H2,(H,10,11).
What are the key properties of 4-cyclohexa-1,5-dien-1-yl-1,3-oxazolidin-2-one?
4-cyclohexa-1,5-dien-1-yl-1,3-oxazolidin-2-one has a molecular weight of 165.19 g/mol, XLogP of 1.37, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexa-1,5-dien-1-yl-1,3-oxazolidin-2-one is sourced from PubChem (CID 123859347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).