ethane;3-imino-4-methyloxolan-2-one

C7H13NO2 — CID 144537963

IUPACethane;3-imino-4-methyloxolan-2-one
SMILESCC.[H]/N=C1/C(=O)OCC1C
InChIInChI=1S/C5H7NO2.C2H6/c1-3-2-8-5(7)4(3)6;1-2/h3,6H,2H2,1H3;1-2H3/b6-4+;
InChIKeyOATUGQPIJVPISF-CVDVRWGVSA-N
MW143.19 g/mol
LogP1.23
Rot. Bonds

About ethane;3-imino-4-methyloxolan-2-one

ethane;3-imino-4-methyloxolan-2-one (PubChem CID 144537963) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is ethane;3-imino-4-methyloxolan-2-one.

Molecular Properties

Compound Nameethane;3-imino-4-methyloxolan-2-one
PubChem CID144537963
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC Nameethane;3-imino-4-methyloxolan-2-one
SMILESCC.[H]/N=C1/C(=O)OCC1C
InChIInChI=1S/C5H7NO2.C2H6/c1-3-2-8-5(7)4(3)6;1-2/h3,6H,2H2,1H3;1-2H3/b6-4+;
InChIKeyOATUGQPIJVPISF-CVDVRWGVSA-N
XLogP1.23
TPSA50.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethane;3-imino-4-methyloxolan-2-one?
The IUPAC name of ethane;3-imino-4-methyloxolan-2-one (CID 144537963) is ethane;3-imino-4-methyloxolan-2-one.
What is the SMILES notation for ethane;3-imino-4-methyloxolan-2-one?
The canonical SMILES for ethane;3-imino-4-methyloxolan-2-one is CC.[H]/N=C1/C(=O)OCC1C.
What is the InChIKey of ethane;3-imino-4-methyloxolan-2-one?
The InChIKey is OATUGQPIJVPISF-CVDVRWGVSA-N. The full InChI is InChI=1S/C5H7NO2.C2H6/c1-3-2-8-5(7)4(3)6;1-2/h3,6H,2H2,1H3;1-2H3/b6-4+;.
What are the key properties of ethane;3-imino-4-methyloxolan-2-one?
ethane;3-imino-4-methyloxolan-2-one has a molecular weight of 143.19 g/mol, XLogP of 1.23, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-imino-4-methyloxolan-2-one is sourced from PubChem (CID 144537963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).