(4S)-4-(2-bicyclo[4.1.0]hepta-2,4-dienylmethyl)-1,3-oxazolidin-2-one

C11H13NO2 — CID 142099833

IUPAC(4S)-4-(2-bicyclo[4.1.0]hepta-2,4-dienylmethyl)-1,3-oxazolidin-2-one
SMILESO=C1N[C@@H](CC2=CC=CC3CC23)CO1
InChIInChI=1S/C11H13NO2/c13-11-12-9(6-14-11)4-7-2-1-3-8-5-10(7)8/h1-3,8-10H,4-6H2,(H,12,13)/t8?,9-,10?/m0/s1
InChIKeyNCABWMBOLBLDCN-KYHHOPLUSA-N
MW191.23 g/mol
LogP1.62
Rot. Bonds2

About (4S)-4-(2-bicyclo[4.1.0]hepta-2,4-dienylmethyl)-1,3-oxazolidin-2-one

(4S)-4-(2-bicyclo[4.1.0]hepta-2,4-dienylmethyl)-1,3-oxazolidin-2-one (PubChem CID 142099833) has the molecular formula C11H13NO2 and a molecular weight of 191.23 g/mol. Its IUPAC name is (4S)-4-(2-bicyclo[4.1.0]hepta-2,4-dienylmethyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-4-(2-bicyclo[4.1.0]hepta-2,4-dienylmethyl)-1,3-oxazolidin-2-one
PubChem CID142099833
Molecular FormulaC11H13NO2
Molecular Weight191.23 g/mol
Exact Mass191.09
IUPAC Name(4S)-4-(2-bicyclo[4.1.0]hepta-2,4-dienylmethyl)-1,3-oxazolidin-2-one
SMILESO=C1N[C@@H](CC2=CC=CC3CC23)CO1
InChIInChI=1S/C11H13NO2/c13-11-12-9(6-14-11)4-7-2-1-3-8-5-10(7)8/h1-3,8-10H,4-6H2,(H,12,13)/t8?,9-,10?/m0/s1
InChIKeyNCABWMBOLBLDCN-KYHHOPLUSA-N
XLogP1.62
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-(2-bicyclo[4.1.0]hepta-2,4-dienylmethyl)-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-4-(2-bicyclo[4.1.0]hepta-2,4-dienylmethyl)-1,3-oxazolidin-2-one (CID 142099833) is (4S)-4-(2-bicyclo[4.1.0]hepta-2,4-dienylmethyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-4-(2-bicyclo[4.1.0]hepta-2,4-dienylmethyl)-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-4-(2-bicyclo[4.1.0]hepta-2,4-dienylmethyl)-1,3-oxazolidin-2-one is O=C1N[C@@H](CC2=CC=CC3CC23)CO1.
What is the InChIKey of (4S)-4-(2-bicyclo[4.1.0]hepta-2,4-dienylmethyl)-1,3-oxazolidin-2-one?
The InChIKey is NCABWMBOLBLDCN-KYHHOPLUSA-N. The full InChI is InChI=1S/C11H13NO2/c13-11-12-9(6-14-11)4-7-2-1-3-8-5-10(7)8/h1-3,8-10H,4-6H2,(H,12,13)/t8?,9-,10?/m0/s1.
What are the key properties of (4S)-4-(2-bicyclo[4.1.0]hepta-2,4-dienylmethyl)-1,3-oxazolidin-2-one?
(4S)-4-(2-bicyclo[4.1.0]hepta-2,4-dienylmethyl)-1,3-oxazolidin-2-one has a molecular weight of 191.23 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 (4S)-4-(2-bicyclo[4.1.0]hepta-2,4-dienylmethyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 142099833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).