3-[4-[(1R)-3-azabicyclo[3.1.0]hexan-1-yl]cyclohexa-2,4-dien-1-yl]-1,3-oxazolidin-2-one

C14H18N2O2 — CID 70814026

IUPAC3-[4-[(1R)-3-azabicyclo[3.1.0]hexan-1-yl]cyclohexa-2,4-dien-1-yl]-1,3-oxazolidin-2-one
SMILESO=C1OCCN1C1C=CC([C@]23CNCC2C3)=CC1
InChIInChI=1S/C14H18N2O2/c17-13-16(5-6-18-13)12-3-1-10(2-4-12)14-7-11(14)8-15-9-14/h1-3,11-12,15H,4-9H2/t11?,12?,14-/m0/s1
InChIKeyRPAPEFUEAGKBKJ-YIZWMMSDSA-N
MW246.31 g/mol
LogP1.30
Rot. Bonds2

About 3-[4-[(1R)-3-azabicyclo[3.1.0]hexan-1-yl]cyclohexa-2,4-dien-1-yl]-1,3-oxazolidin-2-one

3-[4-[(1R)-3-azabicyclo[3.1.0]hexan-1-yl]cyclohexa-2,4-dien-1-yl]-1,3-oxazolidin-2-one (PubChem CID 70814026) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 3-[4-[(1R)-3-azabicyclo[3.1.0]hexan-1-yl]cyclohexa-2,4-dien-1-yl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[4-[(1R)-3-azabicyclo[3.1.0]hexan-1-yl]cyclohexa-2,4-dien-1-yl]-1,3-oxazolidin-2-one
PubChem CID70814026
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name3-[4-[(1R)-3-azabicyclo[3.1.0]hexan-1-yl]cyclohexa-2,4-dien-1-yl]-1,3-oxazolidin-2-one
SMILESO=C1OCCN1C1C=CC([C@]23CNCC2C3)=CC1
InChIInChI=1S/C14H18N2O2/c17-13-16(5-6-18-13)12-3-1-10(2-4-12)14-7-11(14)8-15-9-14/h1-3,11-12,15H,4-9H2/t11?,12?,14-/m0/s1
InChIKeyRPAPEFUEAGKBKJ-YIZWMMSDSA-N
XLogP1.30
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[(1R)-3-azabicyclo[3.1.0]hexan-1-yl]cyclohexa-2,4-dien-1-yl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[4-[(1R)-3-azabicyclo[3.1.0]hexan-1-yl]cyclohexa-2,4-dien-1-yl]-1,3-oxazolidin-2-one (CID 70814026) is 3-[4-[(1R)-3-azabicyclo[3.1.0]hexan-1-yl]cyclohexa-2,4-dien-1-yl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[4-[(1R)-3-azabicyclo[3.1.0]hexan-1-yl]cyclohexa-2,4-dien-1-yl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[4-[(1R)-3-azabicyclo[3.1.0]hexan-1-yl]cyclohexa-2,4-dien-1-yl]-1,3-oxazolidin-2-one is O=C1OCCN1C1C=CC([C@]23CNCC2C3)=CC1.
What is the InChIKey of 3-[4-[(1R)-3-azabicyclo[3.1.0]hexan-1-yl]cyclohexa-2,4-dien-1-yl]-1,3-oxazolidin-2-one?
The InChIKey is RPAPEFUEAGKBKJ-YIZWMMSDSA-N. The full InChI is InChI=1S/C14H18N2O2/c17-13-16(5-6-18-13)12-3-1-10(2-4-12)14-7-11(14)8-15-9-14/h1-3,11-12,15H,4-9H2/t11?,12?,14-/m0/s1.
What are the key properties of 3-[4-[(1R)-3-azabicyclo[3.1.0]hexan-1-yl]cyclohexa-2,4-dien-1-yl]-1,3-oxazolidin-2-one?
3-[4-[(1R)-3-azabicyclo[3.1.0]hexan-1-yl]cyclohexa-2,4-dien-1-yl]-1,3-oxazolidin-2-one has a molecular weight of 246.31 g/mol, XLogP of 1.30, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(1R)-3-azabicyclo[3.1.0]hexan-1-yl]cyclohexa-2,4-dien-1-yl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 70814026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).