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

C10H13NO2 — CID 123701505

IUPAC4-(cyclohexa-1,3-dien-1-ylmethyl)-1,3-oxazolidin-2-one
SMILESO=C1NC(CC2=CC=CCC2)CO1
InChIInChI=1S/C10H13NO2/c12-10-11-9(7-13-10)6-8-4-2-1-3-5-8/h1-2,4,9H,3,5-7H2,(H,11,12)
InChIKeyBOJKRWREYHCHQP-UHFFFAOYSA-N
MW179.22 g/mol
LogP1.76
Rot. Bonds2

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

4-(cyclohexa-1,3-dien-1-ylmethyl)-1,3-oxazolidin-2-one (PubChem CID 123701505) has the molecular formula C10H13NO2 and a molecular weight of 179.22 g/mol. Its IUPAC name is 4-(cyclohexa-1,3-dien-1-ylmethyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name4-(cyclohexa-1,3-dien-1-ylmethyl)-1,3-oxazolidin-2-one
PubChem CID123701505
Molecular FormulaC10H13NO2
Molecular Weight179.22 g/mol
Exact Mass179.09
IUPAC Name4-(cyclohexa-1,3-dien-1-ylmethyl)-1,3-oxazolidin-2-one
SMILESO=C1NC(CC2=CC=CCC2)CO1
InChIInChI=1S/C10H13NO2/c12-10-11-9(7-13-10)6-8-4-2-1-3-5-8/h1-2,4,9H,3,5-7H2,(H,11,12)
InChIKeyBOJKRWREYHCHQP-UHFFFAOYSA-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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Related Compounds

(4S)-4-[5-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]-1,3-oxazolidin-2-one
CID 143702882
4-(2-Cyclohexa-2,4-dien-1-ylethyl)-1,3-oxazolidin-2-one
CID 68387414
(4R,5R)-4-[(2Z,4Z)-cycloocta-2,4-dien-1-yl]-5-methyl-1,3-oxazolidin-2-one
CID 71465829
4-Cycloocta-2,4-dien-1-yl-5-methyl-1,3-oxazolidin-2-one
CID 78076799
lithium (4S)-4-(phenylmethyl)-1,3-oxazolidin-2-one
CID 88415529
(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-Cyclohexa-1,5-dien-1-yl-1,3-oxazolidin-2-one
CID 123859347
4-Cyclohexa-2,4-dien-1-yl-1,3-oxazolidin-2-one
CID 123952437
(4S)-4-(cyclohexa-1,5-dien-1-ylmethyl)-1,3-oxazolidin-2-one
CID 141811619
(4R)-4-(cyclohexa-1,5-dien-1-ylmethyl)-1,3-oxazolidin-2-one
CID 142056302
(4S)-4-(2-bicyclo[4.1.0]hepta-2,4-dienylmethyl)-1,3-oxazolidin-2-one
CID 142099833

Frequently Asked Questions

What is the IUPAC name of 4-(cyclohexa-1,3-dien-1-ylmethyl)-1,3-oxazolidin-2-one?
The IUPAC name of 4-(cyclohexa-1,3-dien-1-ylmethyl)-1,3-oxazolidin-2-one (CID 123701505) is 4-(cyclohexa-1,3-dien-1-ylmethyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 4-(cyclohexa-1,3-dien-1-ylmethyl)-1,3-oxazolidin-2-one?
The canonical SMILES for 4-(cyclohexa-1,3-dien-1-ylmethyl)-1,3-oxazolidin-2-one is O=C1NC(CC2=CC=CCC2)CO1.
What is the InChIKey of 4-(cyclohexa-1,3-dien-1-ylmethyl)-1,3-oxazolidin-2-one?
The InChIKey is BOJKRWREYHCHQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2/c12-10-11-9(7-13-10)6-8-4-2-1-3-5-8/h1-2,4,9H,3,5-7H2,(H,11,12).
What are the key properties of 4-(cyclohexa-1,3-dien-1-ylmethyl)-1,3-oxazolidin-2-one?
4-(cyclohexa-1,3-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 4-(cyclohexa-1,3-dien-1-ylmethyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 123701505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).