2-[5-[[(3R)-3-(methoxymethyl)pyrrolidin-1-yl]methyl]furan-2-yl]benzonitrile

C18H20N2O2 — CID 99953712

IUPAC2-[5-[[(3R)-3-(methoxymethyl)pyrrolidin-1-yl]methyl]furan-2-yl]benzonitrile
SMILESCOC[C@@H]1CCN(Cc2ccc(-c3ccccc3C#N)o2)C1
InChIInChI=1S/C18H20N2O2/c1-21-13-14-8-9-20(11-14)12-16-6-7-18(22-16)17-5-3-2-4-15(17)10-19/h2-7,14H,8-9,11-13H2,1H3/t14-/m1/s1
InChIKeyQVAKXWLUKOLXJO-CQSZACIVSA-N
MW296.37 g/mol
LogP3.29
Rot. Bonds5

About 2-[5-[[(3R)-3-(methoxymethyl)pyrrolidin-1-yl]methyl]furan-2-yl]benzonitrile

2-[5-[[(3R)-3-(methoxymethyl)pyrrolidin-1-yl]methyl]furan-2-yl]benzonitrile (PubChem CID 99953712) has the molecular formula C18H20N2O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is 2-[5-[[(3R)-3-(methoxymethyl)pyrrolidin-1-yl]methyl]furan-2-yl]benzonitrile.

Molecular Properties

Compound Name2-[5-[[(3R)-3-(methoxymethyl)pyrrolidin-1-yl]methyl]furan-2-yl]benzonitrile
PubChem CID99953712
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC Name2-[5-[[(3R)-3-(methoxymethyl)pyrrolidin-1-yl]methyl]furan-2-yl]benzonitrile
SMILESCOC[C@@H]1CCN(Cc2ccc(-c3ccccc3C#N)o2)C1
InChIInChI=1S/C18H20N2O2/c1-21-13-14-8-9-20(11-14)12-16-6-7-18(22-16)17-5-3-2-4-15(17)10-19/h2-7,14H,8-9,11-13H2,1H3/t14-/m1/s1
InChIKeyQVAKXWLUKOLXJO-CQSZACIVSA-N
XLogP3.29
TPSA49.40 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[5-[[3-(pyridin-3-ylmethoxy)piperidin-1-yl]methyl]furan-2-yl]benzonitrile
CID 56902027
2-[5-[[4-(3-fluoro-2-pyridinyl)piperazin-1-yl]methyl]furan-2-yl]benzonitrile
CID 50979162
3-amino-1-[[5-(2-cyanophenyl)furan-2-yl]methyl]pyrrolidine-3-carboxylic acid
CID 56719656
1-[[5-(2-methoxycarbonylphenyl)furan-2-yl]methyl]pyrrolidine-3-carboxylic acid
CID 122036361
2-[5-[[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]methyl]furan-2-yl]benzonitrile
CID 95729395
2-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]aniline
CID 64570821
2-[5-[[(1S,5S)-3-methylsulfonyl-3,6-diazabicyclo[3.2.2]nonan-6-yl]methyl]furan-2-yl]benzonitrile
CID 133122364
2-[4-(methoxymethyl)piperidin-1-yl]benzonitrile
CID 23293075
N-(2-cyanophenyl)-3-[3-(methoxymethyl)pyrrolidin-1-yl]propanamide
CID 64598916
2-[5-[[(2S)-2-(5-methyl-1,2-oxazol-3-yl)piperidin-1-yl]methyl]furan-2-yl]benzonitrile
CID 99946574
N-[[(3S)-1-[(2-cyanophenyl)methyl]pyrrolidin-3-yl]methyl]-2-methoxyacetamide
CID 95214341
5-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]furan-3-carboxylic acid
CID 64598988

Frequently Asked Questions

What is the IUPAC name of 2-[5-[[(3R)-3-(methoxymethyl)pyrrolidin-1-yl]methyl]furan-2-yl]benzonitrile?
The IUPAC name of 2-[5-[[(3R)-3-(methoxymethyl)pyrrolidin-1-yl]methyl]furan-2-yl]benzonitrile (CID 99953712) is 2-[5-[[(3R)-3-(methoxymethyl)pyrrolidin-1-yl]methyl]furan-2-yl]benzonitrile.
What is the SMILES notation for 2-[5-[[(3R)-3-(methoxymethyl)pyrrolidin-1-yl]methyl]furan-2-yl]benzonitrile?
The canonical SMILES for 2-[5-[[(3R)-3-(methoxymethyl)pyrrolidin-1-yl]methyl]furan-2-yl]benzonitrile is COC[C@@H]1CCN(Cc2ccc(-c3ccccc3C#N)o2)C1.
What is the InChIKey of 2-[5-[[(3R)-3-(methoxymethyl)pyrrolidin-1-yl]methyl]furan-2-yl]benzonitrile?
The InChIKey is QVAKXWLUKOLXJO-CQSZACIVSA-N. The full InChI is InChI=1S/C18H20N2O2/c1-21-13-14-8-9-20(11-14)12-16-6-7-18(22-16)17-5-3-2-4-15(17)10-19/h2-7,14H,8-9,11-13H2,1H3/t14-/m1/s1.
What are the key properties of 2-[5-[[(3R)-3-(methoxymethyl)pyrrolidin-1-yl]methyl]furan-2-yl]benzonitrile?
2-[5-[[(3R)-3-(methoxymethyl)pyrrolidin-1-yl]methyl]furan-2-yl]benzonitrile has a molecular weight of 296.37 g/mol, XLogP of 3.29, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[[(3R)-3-(methoxymethyl)pyrrolidin-1-yl]methyl]furan-2-yl]benzonitrile is sourced from PubChem (CID 99953712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).