5-[(2,5,5-trimethylmorpholin-4-yl)methyl]furan-2-carbonitrile

C13H18N2O2 — CID 75506957

IUPAC5-[(2,5,5-trimethylmorpholin-4-yl)methyl]furan-2-carbonitrile
SMILESCC1CN(Cc2ccc(C#N)o2)C(C)(C)CO1
InChIInChI=1S/C13H18N2O2/c1-10-7-15(13(2,3)9-16-10)8-12-5-4-11(6-14)17-12/h4-5,10H,7-9H2,1-3H3
InChIKeyGKPVBCRHQMYHPE-UHFFFAOYSA-N
MW234.30 g/mol
LogP2.15
Rot. Bonds2

About 5-[(2,5,5-trimethylmorpholin-4-yl)methyl]furan-2-carbonitrile

5-[(2,5,5-trimethylmorpholin-4-yl)methyl]furan-2-carbonitrile (PubChem CID 75506957) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 5-[(2,5,5-trimethylmorpholin-4-yl)methyl]furan-2-carbonitrile.

Molecular Properties

Compound Name5-[(2,5,5-trimethylmorpholin-4-yl)methyl]furan-2-carbonitrile
PubChem CID75506957
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name5-[(2,5,5-trimethylmorpholin-4-yl)methyl]furan-2-carbonitrile
SMILESCC1CN(Cc2ccc(C#N)o2)C(C)(C)CO1
InChIInChI=1S/C13H18N2O2/c1-10-7-15(13(2,3)9-16-10)8-12-5-4-11(6-14)17-12/h4-5,10H,7-9H2,1-3H3
InChIKeyGKPVBCRHQMYHPE-UHFFFAOYSA-N
XLogP2.15
TPSA49.40 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(2,5,5-trimethylmorpholin-4-yl)methyl]furan-2-carbonitrile?
The IUPAC name of 5-[(2,5,5-trimethylmorpholin-4-yl)methyl]furan-2-carbonitrile (CID 75506957) is 5-[(2,5,5-trimethylmorpholin-4-yl)methyl]furan-2-carbonitrile.
What is the SMILES notation for 5-[(2,5,5-trimethylmorpholin-4-yl)methyl]furan-2-carbonitrile?
The canonical SMILES for 5-[(2,5,5-trimethylmorpholin-4-yl)methyl]furan-2-carbonitrile is CC1CN(Cc2ccc(C#N)o2)C(C)(C)CO1.
What is the InChIKey of 5-[(2,5,5-trimethylmorpholin-4-yl)methyl]furan-2-carbonitrile?
The InChIKey is GKPVBCRHQMYHPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-10-7-15(13(2,3)9-16-10)8-12-5-4-11(6-14)17-12/h4-5,10H,7-9H2,1-3H3.
What are the key properties of 5-[(2,5,5-trimethylmorpholin-4-yl)methyl]furan-2-carbonitrile?
5-[(2,5,5-trimethylmorpholin-4-yl)methyl]furan-2-carbonitrile has a molecular weight of 234.30 g/mol, XLogP of 2.15, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,5,5-trimethylmorpholin-4-yl)methyl]furan-2-carbonitrile is sourced from PubChem (CID 75506957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).