5-[[cyclopropylmethyl(2-hydroxyethyl)amino]methyl]furan-2-carbonitrile

C12H16N2O2 — CID 115882324

IUPAC5-[[cyclopropylmethyl(2-hydroxyethyl)amino]methyl]furan-2-carbonitrile
SMILESN#Cc1ccc(CN(CCO)CC2CC2)o1
InChIInChI=1S/C12H16N2O2/c13-7-11-3-4-12(16-11)9-14(5-6-15)8-10-1-2-10/h3-4,10,15H,1-2,5-6,8-9H2
InChIKeyFVYHXQQECPWHRO-UHFFFAOYSA-N
MW220.27 g/mol
LogP1.36
Rot. Bonds6

About 5-[[cyclopropylmethyl(2-hydroxyethyl)amino]methyl]furan-2-carbonitrile

5-[[cyclopropylmethyl(2-hydroxyethyl)amino]methyl]furan-2-carbonitrile (PubChem CID 115882324) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is 5-[[cyclopropylmethyl(2-hydroxyethyl)amino]methyl]furan-2-carbonitrile.

Molecular Properties

Compound Name5-[[cyclopropylmethyl(2-hydroxyethyl)amino]methyl]furan-2-carbonitrile
PubChem CID115882324
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name5-[[cyclopropylmethyl(2-hydroxyethyl)amino]methyl]furan-2-carbonitrile
SMILESN#Cc1ccc(CN(CCO)CC2CC2)o1
InChIInChI=1S/C12H16N2O2/c13-7-11-3-4-12(16-11)9-14(5-6-15)8-10-1-2-10/h3-4,10,15H,1-2,5-6,8-9H2
InChIKeyFVYHXQQECPWHRO-UHFFFAOYSA-N
XLogP1.36
TPSA60.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[[cyclopropylmethyl(2-hydroxyethyl)amino]methyl]furan-2-carbonitrile?
The IUPAC name of 5-[[cyclopropylmethyl(2-hydroxyethyl)amino]methyl]furan-2-carbonitrile (CID 115882324) is 5-[[cyclopropylmethyl(2-hydroxyethyl)amino]methyl]furan-2-carbonitrile.
What is the SMILES notation for 5-[[cyclopropylmethyl(2-hydroxyethyl)amino]methyl]furan-2-carbonitrile?
The canonical SMILES for 5-[[cyclopropylmethyl(2-hydroxyethyl)amino]methyl]furan-2-carbonitrile is N#Cc1ccc(CN(CCO)CC2CC2)o1.
What is the InChIKey of 5-[[cyclopropylmethyl(2-hydroxyethyl)amino]methyl]furan-2-carbonitrile?
The InChIKey is FVYHXQQECPWHRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c13-7-11-3-4-12(16-11)9-14(5-6-15)8-10-1-2-10/h3-4,10,15H,1-2,5-6,8-9H2.
What are the key properties of 5-[[cyclopropylmethyl(2-hydroxyethyl)amino]methyl]furan-2-carbonitrile?
5-[[cyclopropylmethyl(2-hydroxyethyl)amino]methyl]furan-2-carbonitrile has a molecular weight of 220.27 g/mol, XLogP of 1.36, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[cyclopropylmethyl(2-hydroxyethyl)amino]methyl]furan-2-carbonitrile is sourced from PubChem (CID 115882324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).