cyclohexa-1,5-dien-1-ylmethyl acetate;1,3-oxazolidin-2-one

C12H17NO4 — CID 163245221

IUPACcyclohexa-1,5-dien-1-ylmethyl acetate;1,3-oxazolidin-2-one
SMILESCC(=O)OCC1=CCCC=C1.O=C1NCCO1
InChIInChI=1S/C9H12O2.C3H5NO2/c1-8(10)11-7-9-5-3-2-4-6-9;5-3-4-1-2-6-3/h3,5-6H,2,4,7H2,1H3;1-2H2,(H,4,5)
InChIKeyPZROGTWNPHNPCM-UHFFFAOYSA-N
MW239.27 g/mol
LogP1.55
Rot. Bonds2

About cyclohexa-1,5-dien-1-ylmethyl acetate;1,3-oxazolidin-2-one

cyclohexa-1,5-dien-1-ylmethyl acetate;1,3-oxazolidin-2-one (PubChem CID 163245221) has the molecular formula C12H17NO4 and a molecular weight of 239.27 g/mol. Its IUPAC name is cyclohexa-1,5-dien-1-ylmethyl acetate;1,3-oxazolidin-2-one.

Molecular Properties

Compound Namecyclohexa-1,5-dien-1-ylmethyl acetate;1,3-oxazolidin-2-one
PubChem CID163245221
Molecular FormulaC12H17NO4
Molecular Weight239.27 g/mol
Exact Mass239.12
IUPAC Namecyclohexa-1,5-dien-1-ylmethyl acetate;1,3-oxazolidin-2-one
SMILESCC(=O)OCC1=CCCC=C1.O=C1NCCO1
InChIInChI=1S/C9H12O2.C3H5NO2/c1-8(10)11-7-9-5-3-2-4-6-9;5-3-4-1-2-6-3/h3,5-6H,2,4,7H2,1H3;1-2H2,(H,4,5)
InChIKeyPZROGTWNPHNPCM-UHFFFAOYSA-N
XLogP1.55
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

cyclohexa-1,5-dien-1-ylmethyl (2S)-2-(methylamino)-4-oxopentanoate
CID 145192095
2H-pyran-4-ylmethyl acetate
CID 67294170
cyclohexa-1,5-dien-1-ylmethyl 4-amino-2,2,3,3-tetramethylbutanoate
CID 142457192
cyclohexa-1,5-dien-1-ylmethyl N-(2-methylpropyl)carbamate
CID 155132308
1,3-oxazolidin-2-one;stannane
CID 173239925
1,3-oxazolidin-2-one;propan-1-ol
CID 144673356
cyclohexa-1,5-dien-1-ylmethyl 5-methylpiperidine-2-carboxylate
CID 145375430
(2S)-2-amino-4-methylsulfanylbutanoic acid;1,3-oxazolidin-2-one
CID 69357157
cyclohexa-1,5-dien-1-ylmethyl 1-(hydroxymethyl)cyclopropane-1-carboxylate
CID 143746438
cyclohexa-1,5-dien-1-ylmethyl methanesulfonate
CID 163680872
cyclohepta-1,6-dien-1-ylmethyl (2S)-2-aminopropanoate
CID 172578392
bis(1,3-oxazolidin-2-one);piperazine
CID 66663438

Frequently Asked Questions

What is the IUPAC name of cyclohexa-1,5-dien-1-ylmethyl acetate;1,3-oxazolidin-2-one?
The IUPAC name of cyclohexa-1,5-dien-1-ylmethyl acetate;1,3-oxazolidin-2-one (CID 163245221) is cyclohexa-1,5-dien-1-ylmethyl acetate;1,3-oxazolidin-2-one.
What is the SMILES notation for cyclohexa-1,5-dien-1-ylmethyl acetate;1,3-oxazolidin-2-one?
The canonical SMILES for cyclohexa-1,5-dien-1-ylmethyl acetate;1,3-oxazolidin-2-one is CC(=O)OCC1=CCCC=C1.O=C1NCCO1.
What is the InChIKey of cyclohexa-1,5-dien-1-ylmethyl acetate;1,3-oxazolidin-2-one?
The InChIKey is PZROGTWNPHNPCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O2.C3H5NO2/c1-8(10)11-7-9-5-3-2-4-6-9;5-3-4-1-2-6-3/h3,5-6H,2,4,7H2,1H3;1-2H2,(H,4,5).
What are the key properties of cyclohexa-1,5-dien-1-ylmethyl acetate;1,3-oxazolidin-2-one?
cyclohexa-1,5-dien-1-ylmethyl acetate;1,3-oxazolidin-2-one has a molecular weight of 239.27 g/mol, XLogP of 1.55, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexa-1,5-dien-1-ylmethyl acetate;1,3-oxazolidin-2-one is sourced from PubChem (CID 163245221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).