3-[2-(methylamino)ethylamino]oxolan-2-one

C7H14N2O2 — CID 123613127

IUPAC3-[2-(methylamino)ethylamino]oxolan-2-one
SMILESCNCCNC1CCOC1=O
InChIInChI=1S/C7H14N2O2/c1-8-3-4-9-6-2-5-11-7(6)10/h6,8-9H,2-5H2,1H3
InChIKeyNQRUINWHOQZPGC-UHFFFAOYSA-N
MW158.20 g/mol
LogP-0.89
Rot. Bonds4

About 3-[2-(methylamino)ethylamino]oxolan-2-one

3-[2-(methylamino)ethylamino]oxolan-2-one (PubChem CID 123613127) has the molecular formula C7H14N2O2 and a molecular weight of 158.20 g/mol. Its IUPAC name is 3-[2-(methylamino)ethylamino]oxolan-2-one.

Molecular Properties

Compound Name3-[2-(methylamino)ethylamino]oxolan-2-one
PubChem CID123613127
Molecular FormulaC7H14N2O2
Molecular Weight158.20 g/mol
Exact Mass158.11
IUPAC Name3-[2-(methylamino)ethylamino]oxolan-2-one
SMILESCNCCNC1CCOC1=O
InChIInChI=1S/C7H14N2O2/c1-8-3-4-9-6-2-5-11-7(6)10/h6,8-9H,2-5H2,1H3
InChIKeyNQRUINWHOQZPGC-UHFFFAOYSA-N
XLogP-0.89
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 5-0.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-[2-(methylamino)ethylamino]oxolan-2-one?
The IUPAC name of 3-[2-(methylamino)ethylamino]oxolan-2-one (CID 123613127) is 3-[2-(methylamino)ethylamino]oxolan-2-one.
What is the SMILES notation for 3-[2-(methylamino)ethylamino]oxolan-2-one?
The canonical SMILES for 3-[2-(methylamino)ethylamino]oxolan-2-one is CNCCNC1CCOC1=O.
What is the InChIKey of 3-[2-(methylamino)ethylamino]oxolan-2-one?
The InChIKey is NQRUINWHOQZPGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O2/c1-8-3-4-9-6-2-5-11-7(6)10/h6,8-9H,2-5H2,1H3.
What are the key properties of 3-[2-(methylamino)ethylamino]oxolan-2-one?
3-[2-(methylamino)ethylamino]oxolan-2-one has a molecular weight of 158.20 g/mol, XLogP of -0.89, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(methylamino)ethylamino]oxolan-2-one is sourced from PubChem (CID 123613127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).