2-ethylmorpholine-2-carbonitrile

C7H12N2O — CID 130972238

IUPAC2-ethylmorpholine-2-carbonitrile
SMILESCCC1(C#N)CNCCO1
InChIInChI=1S/C7H12N2O/c1-2-7(5-8)6-9-3-4-10-7/h9H,2-4,6H2,1H3
InChIKeyWKBURGRUFBAICL-UHFFFAOYSA-N
MW140.19 g/mol
LogP0.28
Rot. Bonds1

About 2-ethylmorpholine-2-carbonitrile

2-ethylmorpholine-2-carbonitrile (PubChem CID 130972238) has the molecular formula C7H12N2O and a molecular weight of 140.19 g/mol. Its IUPAC name is 2-ethylmorpholine-2-carbonitrile.

Molecular Properties

Compound Name2-ethylmorpholine-2-carbonitrile
PubChem CID130972238
Molecular FormulaC7H12N2O
Molecular Weight140.19 g/mol
Exact Mass140.09
IUPAC Name2-ethylmorpholine-2-carbonitrile
SMILESCCC1(C#N)CNCCO1
InChIInChI=1S/C7H12N2O/c1-2-7(5-8)6-9-3-4-10-7/h9H,2-4,6H2,1H3
InChIKeyWKBURGRUFBAICL-UHFFFAOYSA-N
XLogP0.28
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.19
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-2-ethylmorpholine;hydrochloride
CID 174494069
acetic acid;2,2-diethylmorpholine
CID 70348686
(2R)-2-but-1-ynyl-2-methylmorpholine
CID 121345131
2,2-diethoxymorpholine
CID 19959513
2-ethyl-2-octylmorpholine;hydrate;hydrochloride
CID 67566490
2-ethyl-2-phenylmorpholine
CID 21410904
2-methyl-2-[16-(2-methylmorpholin-2-yl)hexadecyl]morpholine
CID 142640587
[(2R)-2-methylmorpholin-2-yl]methanol
CID 162361659
(2-methylmorpholin-2-yl)methanol
CID 135262535
2,2-diiodomorpholine
CID 141174185
2,2-didodecylmorpholine;hydrofluoride
CID 173000581
2-methyl-2-prop-1-ynylmorpholine
CID 118971677

Frequently Asked Questions

What is the IUPAC name of 2-ethylmorpholine-2-carbonitrile?
The IUPAC name of 2-ethylmorpholine-2-carbonitrile (CID 130972238) is 2-ethylmorpholine-2-carbonitrile.
What is the SMILES notation for 2-ethylmorpholine-2-carbonitrile?
The canonical SMILES for 2-ethylmorpholine-2-carbonitrile is CCC1(C#N)CNCCO1.
What is the InChIKey of 2-ethylmorpholine-2-carbonitrile?
The InChIKey is WKBURGRUFBAICL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O/c1-2-7(5-8)6-9-3-4-10-7/h9H,2-4,6H2,1H3.
What are the key properties of 2-ethylmorpholine-2-carbonitrile?
2-ethylmorpholine-2-carbonitrile has a molecular weight of 140.19 g/mol, XLogP of 0.28, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylmorpholine-2-carbonitrile is sourced from PubChem (CID 130972238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).