ethene;methane;2-methylmorpholin-3-one

C8H17NO2 — CID 144732867

IUPACethene;methane;2-methylmorpholin-3-one
SMILESC.C=C.CC1OCCNC1=O
InChIInChI=1S/C5H9NO2.C2H4.CH4/c1-4-5(7)6-2-3-8-4;1-2;/h4H,2-3H2,1H3,(H,6,7);1-2H2;1H4
InChIKeyRSKPIHNOIIGIME-UHFFFAOYSA-N
MW159.23 g/mol
LogP0.96
Rot. Bonds

About ethene;methane;2-methylmorpholin-3-one

ethene;methane;2-methylmorpholin-3-one (PubChem CID 144732867) has the molecular formula C8H17NO2 and a molecular weight of 159.23 g/mol. Its IUPAC name is ethene;methane;2-methylmorpholin-3-one.

Molecular Properties

Compound Nameethene;methane;2-methylmorpholin-3-one
PubChem CID144732867
Molecular FormulaC8H17NO2
Molecular Weight159.23 g/mol
Exact Mass159.13
IUPAC Nameethene;methane;2-methylmorpholin-3-one
SMILESC.C=C.CC1OCCNC1=O
InChIInChI=1S/C5H9NO2.C2H4.CH4/c1-4-5(7)6-2-3-8-4;1-2;/h4H,2-3H2,1H3,(H,6,7);1-2H2;1H4
InChIKeyRSKPIHNOIIGIME-UHFFFAOYSA-N
XLogP0.96
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(6R)-6-methylmorpholin-3-one
CID 54310878
(6S)-6-methylmorpholin-3-one
CID 57516786
(2S,5S)-2,5-dimethylmorpholin-3-one
CID 55303247
2,6-Dimethylmorpholin-3-one
CID 14243216
(2S,6R)-2,6-dimethylmorpholin-3-one
CID 55287157
(2R,5R)-2,5-dimethylmorpholin-3-one
CID 57974050
(2R)-2-methylmorpholin-3-one
CID 13440629
4-ethyl-N-(2-methoxyethyl)morpholine-2-carboxamide
CID 72121023
Ethane;2-methyl-6-(trifluoromethyl)morpholin-3-one
CID 178160556
2-Methoxy-1-(piperazin-1-yl)propan-1-one
CID 10749719
2-Methyl-3-morpholinone
CID 13440628
2-propoxy-N-propylpropanamide
CID 87338730

Frequently Asked Questions

What is the IUPAC name of ethene;methane;2-methylmorpholin-3-one?
The IUPAC name of ethene;methane;2-methylmorpholin-3-one (CID 144732867) is ethene;methane;2-methylmorpholin-3-one.
What is the SMILES notation for ethene;methane;2-methylmorpholin-3-one?
The canonical SMILES for ethene;methane;2-methylmorpholin-3-one is C.C=C.CC1OCCNC1=O.
What is the InChIKey of ethene;methane;2-methylmorpholin-3-one?
The InChIKey is RSKPIHNOIIGIME-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO2.C2H4.CH4/c1-4-5(7)6-2-3-8-4;1-2;/h4H,2-3H2,1H3,(H,6,7);1-2H2;1H4.
What are the key properties of ethene;methane;2-methylmorpholin-3-one?
ethene;methane;2-methylmorpholin-3-one has a molecular weight of 159.23 g/mol, XLogP of 0.96, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;methane;2-methylmorpholin-3-one is sourced from PubChem (CID 144732867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).