4-[2,4-diethyl-1-(2-hydroxyethyl)pyrrol-3-yl]oxybenzonitrile

C17H20N2O2 — CID 46889765

IUPAC4-[2,4-diethyl-1-(2-hydroxyethyl)pyrrol-3-yl]oxybenzonitrile
SMILESCCc1cn(CCO)c(CC)c1Oc1ccc(C#N)cc1
InChIInChI=1S/C17H20N2O2/c1-3-14-12-19(9-10-20)16(4-2)17(14)21-15-7-5-13(11-18)6-8-15/h5-8,12,20H,3-4,9-10H2,1-2H3
InChIKeyBZNHAHNOAXOEDO-UHFFFAOYSA-N
MW284.36 g/mol
LogP3.27
Rot. Bonds6

About 4-[2,4-diethyl-1-(2-hydroxyethyl)pyrrol-3-yl]oxybenzonitrile

4-[2,4-diethyl-1-(2-hydroxyethyl)pyrrol-3-yl]oxybenzonitrile (PubChem CID 46889765) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 4-[2,4-diethyl-1-(2-hydroxyethyl)pyrrol-3-yl]oxybenzonitrile.

Molecular Properties

Compound Name4-[2,4-diethyl-1-(2-hydroxyethyl)pyrrol-3-yl]oxybenzonitrile
PubChem CID46889765
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name4-[2,4-diethyl-1-(2-hydroxyethyl)pyrrol-3-yl]oxybenzonitrile
SMILESCCc1cn(CCO)c(CC)c1Oc1ccc(C#N)cc1
InChIInChI=1S/C17H20N2O2/c1-3-14-12-19(9-10-20)16(4-2)17(14)21-15-7-5-13(11-18)6-8-15/h5-8,12,20H,3-4,9-10H2,1-2H3
InChIKeyBZNHAHNOAXOEDO-UHFFFAOYSA-N
XLogP3.27
TPSA58.18 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2,4-diethyl-1-(2-hydroxyethyl)pyrrol-3-yl]oxybenzonitrile?
The IUPAC name of 4-[2,4-diethyl-1-(2-hydroxyethyl)pyrrol-3-yl]oxybenzonitrile (CID 46889765) is 4-[2,4-diethyl-1-(2-hydroxyethyl)pyrrol-3-yl]oxybenzonitrile.
What is the SMILES notation for 4-[2,4-diethyl-1-(2-hydroxyethyl)pyrrol-3-yl]oxybenzonitrile?
The canonical SMILES for 4-[2,4-diethyl-1-(2-hydroxyethyl)pyrrol-3-yl]oxybenzonitrile is CCc1cn(CCO)c(CC)c1Oc1ccc(C#N)cc1.
What is the InChIKey of 4-[2,4-diethyl-1-(2-hydroxyethyl)pyrrol-3-yl]oxybenzonitrile?
The InChIKey is BZNHAHNOAXOEDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-3-14-12-19(9-10-20)16(4-2)17(14)21-15-7-5-13(11-18)6-8-15/h5-8,12,20H,3-4,9-10H2,1-2H3.
What are the key properties of 4-[2,4-diethyl-1-(2-hydroxyethyl)pyrrol-3-yl]oxybenzonitrile?
4-[2,4-diethyl-1-(2-hydroxyethyl)pyrrol-3-yl]oxybenzonitrile has a molecular weight of 284.36 g/mol, XLogP of 3.27, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2,4-diethyl-1-(2-hydroxyethyl)pyrrol-3-yl]oxybenzonitrile is sourced from PubChem (CID 46889765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).