(5R)-5-heptyl-5-methyl-1,3-oxazolidin-2-one

C11H21NO2 — CID 134861233

IUPAC(5R)-5-heptyl-5-methyl-1,3-oxazolidin-2-one
SMILESCCCCCCC[C@]1(C)CNC(=O)O1
InChIInChI=1S/C11H21NO2/c1-3-4-5-6-7-8-11(2)9-12-10(13)14-11/h3-9H2,1-2H3,(H,12,13)/t11-/m1/s1
InChIKeyPMJHAGZJPNRMNE-LLVKDONJSA-N
MW199.29 g/mol
LogP2.85
Rot. Bonds6

About (5R)-5-heptyl-5-methyl-1,3-oxazolidin-2-one

(5R)-5-heptyl-5-methyl-1,3-oxazolidin-2-one (PubChem CID 134861233) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is (5R)-5-heptyl-5-methyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(5R)-5-heptyl-5-methyl-1,3-oxazolidin-2-one
PubChem CID134861233
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name(5R)-5-heptyl-5-methyl-1,3-oxazolidin-2-one
SMILESCCCCCCC[C@]1(C)CNC(=O)O1
InChIInChI=1S/C11H21NO2/c1-3-4-5-6-7-8-11(2)9-12-10(13)14-11/h3-9H2,1-2H3,(H,12,13)/t11-/m1/s1
InChIKeyPMJHAGZJPNRMNE-LLVKDONJSA-N
XLogP2.85
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-Oxa-3-azaspiro(4.5)decan-2-one
CID 349043
1-Oxa-3-azaspiro[4.6]undecan-2-one
CID 349659
4-Methyl-1-oxa-3-azaspiro[4.5]decan-2-one
CID 298863
(8aS)-8a-methyl-3a,4,5,6,7,8-hexahydro-3H-cyclohepta[d][1,3]oxazol-2-one
CID 101716071
(5R)-5-hexyl-1,3-oxazolidin-2-one
CID 124509762
8a-methyl-3a,4,5,6,7,8-hexahydro-3H-cyclohepta[d][1,3]oxazol-2-one
CID 130024158
(3aR,8aS)-8a-methyl-3a,4,5,6,7,8-hexahydro-3H-cyclohepta[d][1,3]oxazol-2-one
CID 131852549
5-Decyloxazolidin-2-one
CID 14836209
5-Nonyloxazolidin-2-one
CID 14836210
5-Hexyl-1,3-oxazolidin-2-one
CID 22057716
8-Propan-2-yl-1-oxa-3-azaspiro[4.5]decan-2-one
CID 65585151
(4R)-4-methyl-1-oxa-3-azaspiro[4.5]decan-2-one
CID 68102132

Frequently Asked Questions

What is the IUPAC name of (5R)-5-heptyl-5-methyl-1,3-oxazolidin-2-one?
The IUPAC name of (5R)-5-heptyl-5-methyl-1,3-oxazolidin-2-one (CID 134861233) is (5R)-5-heptyl-5-methyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (5R)-5-heptyl-5-methyl-1,3-oxazolidin-2-one?
The canonical SMILES for (5R)-5-heptyl-5-methyl-1,3-oxazolidin-2-one is CCCCCCC[C@]1(C)CNC(=O)O1.
What is the InChIKey of (5R)-5-heptyl-5-methyl-1,3-oxazolidin-2-one?
The InChIKey is PMJHAGZJPNRMNE-LLVKDONJSA-N. The full InChI is InChI=1S/C11H21NO2/c1-3-4-5-6-7-8-11(2)9-12-10(13)14-11/h3-9H2,1-2H3,(H,12,13)/t11-/m1/s1.
What are the key properties of (5R)-5-heptyl-5-methyl-1,3-oxazolidin-2-one?
(5R)-5-heptyl-5-methyl-1,3-oxazolidin-2-one has a molecular weight of 199.29 g/mol, XLogP of 2.85, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-heptyl-5-methyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 134861233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).