(5R)-5-(1-methylcyclohexa-2,4-dien-1-yl)-3-propan-2-yl-1,3-oxazolidin-2-one

C13H19NO2 — CID 166755310

IUPAC(5R)-5-(1-methylcyclohexa-2,4-dien-1-yl)-3-propan-2-yl-1,3-oxazolidin-2-one
SMILESCC(C)N1C[C@@H](C2(C)C=CC=CC2)OC1=O
InChIInChI=1S/C13H19NO2/c1-10(2)14-9-11(16-12(14)15)13(3)7-5-4-6-8-13/h4-7,10-11H,8-9H2,1-3H3/t11-,13?/m0/s1
InChIKeySMPLAYJDUNSXBV-AMGKYWFPSA-N
MW221.30 g/mol
LogP2.74
Rot. Bonds2

About (5R)-5-(1-methylcyclohexa-2,4-dien-1-yl)-3-propan-2-yl-1,3-oxazolidin-2-one

(5R)-5-(1-methylcyclohexa-2,4-dien-1-yl)-3-propan-2-yl-1,3-oxazolidin-2-one (PubChem CID 166755310) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is (5R)-5-(1-methylcyclohexa-2,4-dien-1-yl)-3-propan-2-yl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(5R)-5-(1-methylcyclohexa-2,4-dien-1-yl)-3-propan-2-yl-1,3-oxazolidin-2-one
PubChem CID166755310
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name(5R)-5-(1-methylcyclohexa-2,4-dien-1-yl)-3-propan-2-yl-1,3-oxazolidin-2-one
SMILESCC(C)N1C[C@@H](C2(C)C=CC=CC2)OC1=O
InChIInChI=1S/C13H19NO2/c1-10(2)14-9-11(16-12(14)15)13(3)7-5-4-6-8-13/h4-7,10-11H,8-9H2,1-3H3/t11-,13?/m0/s1
InChIKeySMPLAYJDUNSXBV-AMGKYWFPSA-N
XLogP2.74
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5R)-5-(1-methylcyclohexa-2,4-dien-1-yl)-3-propan-2-yl-1,3-oxazolidin-2-one?
The IUPAC name of (5R)-5-(1-methylcyclohexa-2,4-dien-1-yl)-3-propan-2-yl-1,3-oxazolidin-2-one (CID 166755310) is (5R)-5-(1-methylcyclohexa-2,4-dien-1-yl)-3-propan-2-yl-1,3-oxazolidin-2-one.
What is the SMILES notation for (5R)-5-(1-methylcyclohexa-2,4-dien-1-yl)-3-propan-2-yl-1,3-oxazolidin-2-one?
The canonical SMILES for (5R)-5-(1-methylcyclohexa-2,4-dien-1-yl)-3-propan-2-yl-1,3-oxazolidin-2-one is CC(C)N1C[C@@H](C2(C)C=CC=CC2)OC1=O.
What is the InChIKey of (5R)-5-(1-methylcyclohexa-2,4-dien-1-yl)-3-propan-2-yl-1,3-oxazolidin-2-one?
The InChIKey is SMPLAYJDUNSXBV-AMGKYWFPSA-N. The full InChI is InChI=1S/C13H19NO2/c1-10(2)14-9-11(16-12(14)15)13(3)7-5-4-6-8-13/h4-7,10-11H,8-9H2,1-3H3/t11-,13?/m0/s1.
What are the key properties of (5R)-5-(1-methylcyclohexa-2,4-dien-1-yl)-3-propan-2-yl-1,3-oxazolidin-2-one?
(5R)-5-(1-methylcyclohexa-2,4-dien-1-yl)-3-propan-2-yl-1,3-oxazolidin-2-one has a molecular weight of 221.30 g/mol, XLogP of 2.74, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-(1-methylcyclohexa-2,4-dien-1-yl)-3-propan-2-yl-1,3-oxazolidin-2-one is sourced from PubChem (CID 166755310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).