5-[[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methyl]furan-2-carbonitrile

C11H14N2O2 — CID 103881856

IUPAC5-[[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methyl]furan-2-carbonitrile
SMILESN#Cc1ccc(CN2CCC[C@@H]2CO)o1
InChIInChI=1S/C11H14N2O2/c12-6-10-3-4-11(15-10)7-13-5-1-2-9(13)8-14/h3-4,9,14H,1-2,5,7-8H2/t9-/m1/s1
InChIKeyMBMIEQKXRLAAEH-SECBINFHSA-N
MW206.24 g/mol
LogP1.11
Rot. Bonds3

About 5-[[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methyl]furan-2-carbonitrile

5-[[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methyl]furan-2-carbonitrile (PubChem CID 103881856) has the molecular formula C11H14N2O2 and a molecular weight of 206.24 g/mol. Its IUPAC name is 5-[[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methyl]furan-2-carbonitrile.

Molecular Properties

Compound Name5-[[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methyl]furan-2-carbonitrile
PubChem CID103881856
Molecular FormulaC11H14N2O2
Molecular Weight206.24 g/mol
Exact Mass206.11
IUPAC Name5-[[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methyl]furan-2-carbonitrile
SMILESN#Cc1ccc(CN2CCC[C@@H]2CO)o1
InChIInChI=1S/C11H14N2O2/c12-6-10-3-4-11(15-10)7-13-5-1-2-9(13)8-14/h3-4,9,14H,1-2,5,7-8H2/t9-/m1/s1
InChIKeyMBMIEQKXRLAAEH-SECBINFHSA-N
XLogP1.11
TPSA60.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[[2-(fluoromethyl)pyrrolidin-1-yl]methyl]furan-2-carbonitrile
CID 126787527
methyl (2S,3S)-1-[(5-cyanofuran-2-yl)methyl]-3-hydroxypiperidine-2-carboxylate
CID 99826384
[(2R)-1-[[(2S)-1-[(5-pyrrolidin-1-ylsulfonylfuran-2-yl)methyl]pyrrolidin-2-yl]methyl]pyrrolidin-2-yl]methanol
CID 96528122
4-[[(2R)-2-(hydroxymethyl)piperidin-1-yl]methyl]benzonitrile
CID 86319149
[5-[(2-butylpyrrolidin-1-yl)methyl]furan-2-yl]methanol
CID 50981707
[5-[[(2R)-2-butylpyrrolidin-1-yl]methyl]furan-2-yl]methanol
CID 95144576
5-[1-[(5-cyanofuran-2-yl)methyl]piperidin-2-yl]-N,1-dimethylpyrrole-2-carboxamide
CID 129007322
1-[1-[(5-methylfuran-2-yl)methyl]pyrrolidin-2-yl]propan-2-ol
CID 115883125
3-[1-[(5-pyrrolidin-1-ylsulfonylfuran-2-yl)methyl]pyrrolidin-2-yl]propan-1-ol
CID 111103038
[(2S)-1-(pyridin-4-ylmethyl)pyrrolidin-2-yl]methanol
CID 42127568
5-[[2-(aminomethyl)pyrrolidin-1-yl]methyl]furan-2-carboxylic acid
CID 115312700
[1-[(3-amino-4-chlorophenyl)methyl]pyrrolidin-2-yl]methanol
CID 61407185

Frequently Asked Questions

What is the IUPAC name of 5-[[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methyl]furan-2-carbonitrile?
The IUPAC name of 5-[[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methyl]furan-2-carbonitrile (CID 103881856) is 5-[[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methyl]furan-2-carbonitrile.
What is the SMILES notation for 5-[[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methyl]furan-2-carbonitrile?
The canonical SMILES for 5-[[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methyl]furan-2-carbonitrile is N#Cc1ccc(CN2CCC[C@@H]2CO)o1.
What is the InChIKey of 5-[[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methyl]furan-2-carbonitrile?
The InChIKey is MBMIEQKXRLAAEH-SECBINFHSA-N. The full InChI is InChI=1S/C11H14N2O2/c12-6-10-3-4-11(15-10)7-13-5-1-2-9(13)8-14/h3-4,9,14H,1-2,5,7-8H2/t9-/m1/s1.
What are the key properties of 5-[[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methyl]furan-2-carbonitrile?
5-[[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methyl]furan-2-carbonitrile has a molecular weight of 206.24 g/mol, XLogP of 1.11, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methyl]furan-2-carbonitrile is sourced from PubChem (CID 103881856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).