3-[3-(dimethylamino)propyl]-1,3-oxazolidine-2,4-dione

C8H14N2O3 — CID 23622650

IUPAC3-[3-(dimethylamino)propyl]-1,3-oxazolidine-2,4-dione
SMILESCN(C)CCCN1C(=O)COC1=O
InChIInChI=1S/C8H14N2O3/c1-9(2)4-3-5-10-7(11)6-13-8(10)12/h3-6H2,1-2H3
InChIKeyKAHPPPUESCFFMQ-UHFFFAOYSA-N
MW186.21 g/mol
LogP-0.08
Rot. Bonds4

About 3-[3-(dimethylamino)propyl]-1,3-oxazolidine-2,4-dione

3-[3-(dimethylamino)propyl]-1,3-oxazolidine-2,4-dione (PubChem CID 23622650) has the molecular formula C8H14N2O3 and a molecular weight of 186.21 g/mol. Its IUPAC name is 3-[3-(dimethylamino)propyl]-1,3-oxazolidine-2,4-dione.

Molecular Properties

Compound Name3-[3-(dimethylamino)propyl]-1,3-oxazolidine-2,4-dione
PubChem CID23622650
Molecular FormulaC8H14N2O3
Molecular Weight186.21 g/mol
Exact Mass186.10
IUPAC Name3-[3-(dimethylamino)propyl]-1,3-oxazolidine-2,4-dione
SMILESCN(C)CCCN1C(=O)COC1=O
InChIInChI=1S/C8H14N2O3/c1-9(2)4-3-5-10-7(11)6-13-8(10)12/h3-6H2,1-2H3
InChIKeyKAHPPPUESCFFMQ-UHFFFAOYSA-N
XLogP-0.08
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 5-0.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(dimethylamino)propyl]-1,3-oxazolidine-2,4-dione?
The IUPAC name of 3-[3-(dimethylamino)propyl]-1,3-oxazolidine-2,4-dione (CID 23622650) is 3-[3-(dimethylamino)propyl]-1,3-oxazolidine-2,4-dione.
What is the SMILES notation for 3-[3-(dimethylamino)propyl]-1,3-oxazolidine-2,4-dione?
The canonical SMILES for 3-[3-(dimethylamino)propyl]-1,3-oxazolidine-2,4-dione is CN(C)CCCN1C(=O)COC1=O.
What is the InChIKey of 3-[3-(dimethylamino)propyl]-1,3-oxazolidine-2,4-dione?
The InChIKey is KAHPPPUESCFFMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O3/c1-9(2)4-3-5-10-7(11)6-13-8(10)12/h3-6H2,1-2H3.
What are the key properties of 3-[3-(dimethylamino)propyl]-1,3-oxazolidine-2,4-dione?
3-[3-(dimethylamino)propyl]-1,3-oxazolidine-2,4-dione has a molecular weight of 186.21 g/mol, XLogP of -0.08, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(dimethylamino)propyl]-1,3-oxazolidine-2,4-dione is sourced from PubChem (CID 23622650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).