2-[2-(5-methylfuran-2-yl)morpholin-4-yl]propanenitrile

C12H16N2O2 — CID 122138793

IUPAC2-[2-(5-methylfuran-2-yl)morpholin-4-yl]propanenitrile
SMILESCc1ccc(C2CN(C(C)C#N)CCO2)o1
InChIInChI=1S/C12H16N2O2/c1-9(7-13)14-5-6-15-12(8-14)11-4-3-10(2)16-11/h3-4,9,12H,5-6,8H2,1-2H3
InChIKeyRDNVEZOYESPRKP-UHFFFAOYSA-N
MW220.27 g/mol
LogP1.87
Rot. Bonds2

About 2-[2-(5-methylfuran-2-yl)morpholin-4-yl]propanenitrile

2-[2-(5-methylfuran-2-yl)morpholin-4-yl]propanenitrile (PubChem CID 122138793) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is 2-[2-(5-methylfuran-2-yl)morpholin-4-yl]propanenitrile.

Molecular Properties

Compound Name2-[2-(5-methylfuran-2-yl)morpholin-4-yl]propanenitrile
PubChem CID122138793
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name2-[2-(5-methylfuran-2-yl)morpholin-4-yl]propanenitrile
SMILESCc1ccc(C2CN(C(C)C#N)CCO2)o1
InChIInChI=1S/C12H16N2O2/c1-9(7-13)14-5-6-15-12(8-14)11-4-3-10(2)16-11/h3-4,9,12H,5-6,8H2,1-2H3
InChIKeyRDNVEZOYESPRKP-UHFFFAOYSA-N
XLogP1.87
TPSA49.40 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-[(2R)-1-cyanopropan-2-yl]-N-methyl-2-(5-methylfuran-2-yl)morpholine-4-sulfonamide
CID 100743992
(2S)-4-[(1R)-1-(1-cyclohexyltetrazol-5-yl)ethyl]-2-(5-methylfuran-2-yl)morpholine
CID 100673992
2-[2-(1-aminoethyl)morpholin-4-yl]propanenitrile
CID 115315413
2-(5-methylfuran-2-yl)-4-(3-propan-2-yloxypyrazin-2-yl)morpholine
CID 86792051
1-(3,4-difluorophenyl)-2-[2-(5-methylfuran-2-yl)morpholin-4-yl]ethanol
CID 109397553
(2R)-2-(5-methylfuran-2-yl)-4-(2-thiophen-2-ylethylsulfonyl)morpholine
CID 99843979
(2S)-4-(2-ethylsulfonylphenyl)-2-(5-methylfuran-2-yl)morpholine
CID 100665177
(2S)-2-[(2S)-2-methylmorpholin-4-yl]-2-phenylacetonitrile
CID 124711957
4-(2,3-dimethylquinolin-4-yl)-2-(5-methylfuran-2-yl)morpholine
CID 133451752
(2S)-N-[(1R,2R)-2-methoxycyclohexyl]-2-(5-methylfuran-2-yl)morpholine-4-carboxamide
CID 98874217
(2R)-2-(5-methylfuran-2-yl)-N-[3-[(R)-methylsulfinyl]phenyl]morpholine-4-carboxamide
CID 97242640
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-(5-methylfuran-2-yl)morpholine-4-carboxamide
CID 75432430

Frequently Asked Questions

What is the IUPAC name of 2-[2-(5-methylfuran-2-yl)morpholin-4-yl]propanenitrile?
The IUPAC name of 2-[2-(5-methylfuran-2-yl)morpholin-4-yl]propanenitrile (CID 122138793) is 2-[2-(5-methylfuran-2-yl)morpholin-4-yl]propanenitrile.
What is the SMILES notation for 2-[2-(5-methylfuran-2-yl)morpholin-4-yl]propanenitrile?
The canonical SMILES for 2-[2-(5-methylfuran-2-yl)morpholin-4-yl]propanenitrile is Cc1ccc(C2CN(C(C)C#N)CCO2)o1.
What is the InChIKey of 2-[2-(5-methylfuran-2-yl)morpholin-4-yl]propanenitrile?
The InChIKey is RDNVEZOYESPRKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-9(7-13)14-5-6-15-12(8-14)11-4-3-10(2)16-11/h3-4,9,12H,5-6,8H2,1-2H3.
What are the key properties of 2-[2-(5-methylfuran-2-yl)morpholin-4-yl]propanenitrile?
2-[2-(5-methylfuran-2-yl)morpholin-4-yl]propanenitrile has a molecular weight of 220.27 g/mol, XLogP of 1.87, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(5-methylfuran-2-yl)morpholin-4-yl]propanenitrile is sourced from PubChem (CID 122138793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).