3-[3-(methylamino)propyl]-1,3-oxazolidin-2-one

C7H14N2O2 — CID 61350941

IUPAC3-[3-(methylamino)propyl]-1,3-oxazolidin-2-one
SMILESCNCCCN1CCOC1=O
InChIInChI=1S/C7H14N2O2/c1-8-3-2-4-9-5-6-11-7(9)10/h8H,2-6H2,1H3
InChIKeyMIPNVRSJBXUAIF-UHFFFAOYSA-N
MW158.20 g/mol
LogP0.05
Rot. Bonds4

About 3-[3-(methylamino)propyl]-1,3-oxazolidin-2-one

3-[3-(methylamino)propyl]-1,3-oxazolidin-2-one (PubChem CID 61350941) has the molecular formula C7H14N2O2 and a molecular weight of 158.20 g/mol. Its IUPAC name is 3-[3-(methylamino)propyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[3-(methylamino)propyl]-1,3-oxazolidin-2-one
PubChem CID61350941
Molecular FormulaC7H14N2O2
Molecular Weight158.20 g/mol
Exact Mass158.11
IUPAC Name3-[3-(methylamino)propyl]-1,3-oxazolidin-2-one
SMILESCNCCCN1CCOC1=O
InChIInChI=1S/C7H14N2O2/c1-8-3-2-4-9-5-6-11-7(9)10/h8H,2-6H2,1H3
InChIKeyMIPNVRSJBXUAIF-UHFFFAOYSA-N
XLogP0.05
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 50.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(methylamino)propyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[3-(methylamino)propyl]-1,3-oxazolidin-2-one (CID 61350941) is 3-[3-(methylamino)propyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[3-(methylamino)propyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[3-(methylamino)propyl]-1,3-oxazolidin-2-one is CNCCCN1CCOC1=O.
What is the InChIKey of 3-[3-(methylamino)propyl]-1,3-oxazolidin-2-one?
The InChIKey is MIPNVRSJBXUAIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O2/c1-8-3-2-4-9-5-6-11-7(9)10/h8H,2-6H2,1H3.
What are the key properties of 3-[3-(methylamino)propyl]-1,3-oxazolidin-2-one?
3-[3-(methylamino)propyl]-1,3-oxazolidin-2-one has a molecular weight of 158.20 g/mol, XLogP of 0.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(methylamino)propyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 61350941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).