4-hexa-2,4-dien-3-yl-1,3-oxazolidin-2-one

C9H13NO2 — CID 123363079

IUPAC4-hexa-2,4-dien-3-yl-1,3-oxazolidin-2-one
SMILESCC=CC(=CC)C1COC(=O)N1
InChIInChI=1S/C9H13NO2/c1-3-5-7(4-2)8-6-12-9(11)10-8/h3-5,8H,6H2,1-2H3,(H,10,11)
InChIKeyVHONURZARGKBGO-UHFFFAOYSA-N
MW167.21 g/mol
LogP1.62
Rot. Bonds2

About 4-hexa-2,4-dien-3-yl-1,3-oxazolidin-2-one

4-hexa-2,4-dien-3-yl-1,3-oxazolidin-2-one (PubChem CID 123363079) has the molecular formula C9H13NO2 and a molecular weight of 167.21 g/mol. Its IUPAC name is 4-hexa-2,4-dien-3-yl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name4-hexa-2,4-dien-3-yl-1,3-oxazolidin-2-one
PubChem CID123363079
Molecular FormulaC9H13NO2
Molecular Weight167.21 g/mol
Exact Mass167.09
IUPAC Name4-hexa-2,4-dien-3-yl-1,3-oxazolidin-2-one
SMILESCC=CC(=CC)C1COC(=O)N1
InChIInChI=1S/C9H13NO2/c1-3-5-7(4-2)8-6-12-9(11)10-8/h3-5,8H,6H2,1-2H3,(H,10,11)
InChIKeyVHONURZARGKBGO-UHFFFAOYSA-N
XLogP1.62
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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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
(4S)-4-(3-methylbut-2-enyl)-1,3-oxazolidin-2-one
CID 162410724
4-[(E)-prop-1-enyl]-1,3-oxazolidin-2-one
CID 14840510
ethyl N-[(4E)-4-methylhepta-4,6-dien-3-yl]carbamate
CID 21034841
ethyl N-[(3R,4E)-4-methylhepta-4,6-dien-3-yl]carbamate
CID 58597067
6-ethyl-3a,7a-dihydro-3H-1,3-benzoxazol-2-one
CID 68345615
ethyl N-(4-methylhepta-4,6-dien-3-yl)carbamate
CID 73735613
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

Frequently Asked Questions

What is the IUPAC name of 4-hexa-2,4-dien-3-yl-1,3-oxazolidin-2-one?
The IUPAC name of 4-hexa-2,4-dien-3-yl-1,3-oxazolidin-2-one (CID 123363079) is 4-hexa-2,4-dien-3-yl-1,3-oxazolidin-2-one.
What is the SMILES notation for 4-hexa-2,4-dien-3-yl-1,3-oxazolidin-2-one?
The canonical SMILES for 4-hexa-2,4-dien-3-yl-1,3-oxazolidin-2-one is CC=CC(=CC)C1COC(=O)N1.
What is the InChIKey of 4-hexa-2,4-dien-3-yl-1,3-oxazolidin-2-one?
The InChIKey is VHONURZARGKBGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2/c1-3-5-7(4-2)8-6-12-9(11)10-8/h3-5,8H,6H2,1-2H3,(H,10,11).
What are the key properties of 4-hexa-2,4-dien-3-yl-1,3-oxazolidin-2-one?
4-hexa-2,4-dien-3-yl-1,3-oxazolidin-2-one has a molecular weight of 167.21 g/mol, XLogP of 1.62, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hexa-2,4-dien-3-yl-1,3-oxazolidin-2-one is sourced from PubChem (CID 123363079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).