ethane;morpholin-2-one

C6H13NO2 — CID 143577559

IUPACethane;morpholin-2-one
SMILESCC.O=C1CNCCO1
InChIInChI=1S/C4H7NO2.C2H6/c6-4-3-5-1-2-7-4;1-2/h5H,1-3H2;1-2H3
InChIKeyHIEVUXYEPRWOJX-UHFFFAOYSA-N
MW131.18 g/mol
LogP0.16
Rot. Bonds

About ethane;morpholin-2-one

ethane;morpholin-2-one (PubChem CID 143577559) has the molecular formula C6H13NO2 and a molecular weight of 131.18 g/mol. Its IUPAC name is ethane;morpholin-2-one.

Molecular Properties

Compound Nameethane;morpholin-2-one
PubChem CID143577559
Molecular FormulaC6H13NO2
Molecular Weight131.18 g/mol
Exact Mass131.09
IUPAC Nameethane;morpholin-2-one
SMILESCC.O=C1CNCCO1
InChIInChI=1S/C4H7NO2.C2H6/c6-4-3-5-1-2-7-4;1-2/h5H,1-3H2;1-2H3
InChIKeyHIEVUXYEPRWOJX-UHFFFAOYSA-N
XLogP0.16
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.18
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;morpholin-2-one?
The IUPAC name of ethane;morpholin-2-one (CID 143577559) is ethane;morpholin-2-one.
What is the SMILES notation for ethane;morpholin-2-one?
The canonical SMILES for ethane;morpholin-2-one is CC.O=C1CNCCO1.
What is the InChIKey of ethane;morpholin-2-one?
The InChIKey is HIEVUXYEPRWOJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7NO2.C2H6/c6-4-3-5-1-2-7-4;1-2/h5H,1-3H2;1-2H3.
What are the key properties of ethane;morpholin-2-one?
ethane;morpholin-2-one has a molecular weight of 131.18 g/mol, XLogP of 0.16, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;morpholin-2-one is sourced from PubChem (CID 143577559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).