3-(3-ethylheptanoyl)-1,3-oxazolidin-2-one

C12H21NO3 — CID 134993296

IUPAC3-(3-ethylheptanoyl)-1,3-oxazolidin-2-one
SMILESCCCCC(CC)CC(=O)N1CCOC1=O
InChIInChI=1S/C12H21NO3/c1-3-5-6-10(4-2)9-11(14)13-7-8-16-12(13)15/h10H,3-9H2,1-2H3
InChIKeyCOINICMUTHRMPB-UHFFFAOYSA-N
MW227.30 g/mol
LogP2.57
Rot. Bonds6

About 3-(3-ethylheptanoyl)-1,3-oxazolidin-2-one

3-(3-ethylheptanoyl)-1,3-oxazolidin-2-one (PubChem CID 134993296) has the molecular formula C12H21NO3 and a molecular weight of 227.30 g/mol. Its IUPAC name is 3-(3-ethylheptanoyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-(3-ethylheptanoyl)-1,3-oxazolidin-2-one
PubChem CID134993296
Molecular FormulaC12H21NO3
Molecular Weight227.30 g/mol
Exact Mass227.15
IUPAC Name3-(3-ethylheptanoyl)-1,3-oxazolidin-2-one
SMILESCCCCC(CC)CC(=O)N1CCOC1=O
InChIInChI=1S/C12H21NO3/c1-3-5-6-10(4-2)9-11(14)13-7-8-16-12(13)15/h10H,3-9H2,1-2H3
InChIKeyCOINICMUTHRMPB-UHFFFAOYSA-N
XLogP2.57
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.30
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3-ethylheptanoyl)-1,3-oxazolidin-2-one?
The IUPAC name of 3-(3-ethylheptanoyl)-1,3-oxazolidin-2-one (CID 134993296) is 3-(3-ethylheptanoyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-(3-ethylheptanoyl)-1,3-oxazolidin-2-one?
The canonical SMILES for 3-(3-ethylheptanoyl)-1,3-oxazolidin-2-one is CCCCC(CC)CC(=O)N1CCOC1=O.
What is the InChIKey of 3-(3-ethylheptanoyl)-1,3-oxazolidin-2-one?
The InChIKey is COINICMUTHRMPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO3/c1-3-5-6-10(4-2)9-11(14)13-7-8-16-12(13)15/h10H,3-9H2,1-2H3.
What are the key properties of 3-(3-ethylheptanoyl)-1,3-oxazolidin-2-one?
3-(3-ethylheptanoyl)-1,3-oxazolidin-2-one has a molecular weight of 227.30 g/mol, XLogP of 2.57, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethylheptanoyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 134993296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).