5-[[(3-methyloxetan-3-yl)methylamino]methyl]furan-2-carbonitrile

C11H14N2O2 — CID 115653866

IUPAC5-[[(3-methyloxetan-3-yl)methylamino]methyl]furan-2-carbonitrile
SMILESCC1(CNCc2ccc(C#N)o2)COC1
InChIInChI=1S/C11H14N2O2/c1-11(7-14-8-11)6-13-5-10-3-2-9(4-12)15-10/h2-3,13H,5-8H2,1H3
InChIKeyAYQWYGQBVQOFKY-UHFFFAOYSA-N
MW206.24 g/mol
LogP1.28
Rot. Bonds4

About 5-[[(3-methyloxetan-3-yl)methylamino]methyl]furan-2-carbonitrile

5-[[(3-methyloxetan-3-yl)methylamino]methyl]furan-2-carbonitrile (PubChem CID 115653866) has the molecular formula C11H14N2O2 and a molecular weight of 206.24 g/mol. Its IUPAC name is 5-[[(3-methyloxetan-3-yl)methylamino]methyl]furan-2-carbonitrile.

Molecular Properties

Compound Name5-[[(3-methyloxetan-3-yl)methylamino]methyl]furan-2-carbonitrile
PubChem CID115653866
Molecular FormulaC11H14N2O2
Molecular Weight206.24 g/mol
Exact Mass206.11
IUPAC Name5-[[(3-methyloxetan-3-yl)methylamino]methyl]furan-2-carbonitrile
SMILESCC1(CNCc2ccc(C#N)o2)COC1
InChIInChI=1S/C11H14N2O2/c1-11(7-14-8-11)6-13-5-10-3-2-9(4-12)15-10/h2-3,13H,5-8H2,1H3
InChIKeyAYQWYGQBVQOFKY-UHFFFAOYSA-N
XLogP1.28
TPSA58.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[[(2,2-dimethylcyclopropyl)methylamino]methyl]furan-2-carbonitrile
CID 103699447
5-[[(1-methylcyclobutyl)amino]methyl]furan-2-carbonitrile
CID 115765798
5-[[(3-methylthiophen-2-yl)methylamino]methyl]furan-2-carbonitrile
CID 115652805
5-[[[4-(4-chlorophenyl)oxan-4-yl]methylamino]methyl]furan-2-carbonitrile
CID 119138468
5-[[(1-hydroxy-3-methylcyclohexyl)methylamino]methyl]furan-2-carbonitrile
CID 115653695
5-[(2-methoxyethylamino)methyl]furan-2-carbonitrile
CID 115651300
5-[(2-ethylbutylamino)methyl]furan-2-carbonitrile
CID 115653596
5-[[(2-hydroxy-2-methylpropyl)amino]methyl]furan-2-carbonitrile
CID 115653697
5-[(benzylamino)methyl]furan-2-carbonitrile
CID 115651342
5-[(2,2-dimethylbutylamino)methyl]furan-2-carbonitrile
CID 103460965
5-[(cyclooctylmethylamino)methyl]furan-2-carbonitrile
CID 119138452
5-[(3-hydroxypropylamino)methyl]furan-2-carbonitrile
CID 115651259

Frequently Asked Questions

What is the IUPAC name of 5-[[(3-methyloxetan-3-yl)methylamino]methyl]furan-2-carbonitrile?
The IUPAC name of 5-[[(3-methyloxetan-3-yl)methylamino]methyl]furan-2-carbonitrile (CID 115653866) is 5-[[(3-methyloxetan-3-yl)methylamino]methyl]furan-2-carbonitrile.
What is the SMILES notation for 5-[[(3-methyloxetan-3-yl)methylamino]methyl]furan-2-carbonitrile?
The canonical SMILES for 5-[[(3-methyloxetan-3-yl)methylamino]methyl]furan-2-carbonitrile is CC1(CNCc2ccc(C#N)o2)COC1.
What is the InChIKey of 5-[[(3-methyloxetan-3-yl)methylamino]methyl]furan-2-carbonitrile?
The InChIKey is AYQWYGQBVQOFKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2/c1-11(7-14-8-11)6-13-5-10-3-2-9(4-12)15-10/h2-3,13H,5-8H2,1H3.
What are the key properties of 5-[[(3-methyloxetan-3-yl)methylamino]methyl]furan-2-carbonitrile?
5-[[(3-methyloxetan-3-yl)methylamino]methyl]furan-2-carbonitrile has a molecular weight of 206.24 g/mol, XLogP of 1.28, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(3-methyloxetan-3-yl)methylamino]methyl]furan-2-carbonitrile is sourced from PubChem (CID 115653866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).