3-(furan-2-yl)-2-methyl-2-(4-methylphenyl)propanenitrile

C15H15NO — CID 117048617

IUPAC3-(furan-2-yl)-2-methyl-2-(4-methylphenyl)propanenitrile
SMILESCc1ccc(C(C)(C#N)Cc2ccco2)cc1
InChIInChI=1S/C15H15NO/c1-12-5-7-13(8-6-12)15(2,11-16)10-14-4-3-9-17-14/h3-9H,10H2,1-2H3
InChIKeyMKDZZJDLEZASFT-UHFFFAOYSA-N
MW225.29 g/mol
LogP3.61
Rot. Bonds3

About 3-(furan-2-yl)-2-methyl-2-(4-methylphenyl)propanenitrile

3-(furan-2-yl)-2-methyl-2-(4-methylphenyl)propanenitrile (PubChem CID 117048617) has the molecular formula C15H15NO and a molecular weight of 225.29 g/mol. Its IUPAC name is 3-(furan-2-yl)-2-methyl-2-(4-methylphenyl)propanenitrile.

Molecular Properties

Compound Name3-(furan-2-yl)-2-methyl-2-(4-methylphenyl)propanenitrile
PubChem CID117048617
Molecular FormulaC15H15NO
Molecular Weight225.29 g/mol
Exact Mass225.12
IUPAC Name3-(furan-2-yl)-2-methyl-2-(4-methylphenyl)propanenitrile
SMILESCc1ccc(C(C)(C#N)Cc2ccco2)cc1
InChIInChI=1S/C15H15NO/c1-12-5-7-13(8-6-12)15(2,11-16)10-14-4-3-9-17-14/h3-9H,10H2,1-2H3
InChIKeyMKDZZJDLEZASFT-UHFFFAOYSA-N
XLogP3.61
TPSA36.93 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-fluorophenyl)-3-(furan-2-yl)-2-methylpropanenitrile
CID 117048637
2-(2,4-difluorophenyl)-3-(furan-2-yl)-2-methylpropanenitrile
CID 117048609
3-(furan-2-yl)-2-methyl-2-piperidin-1-ylpropanenitrile
CID 82079350
2-(2,2,2-trifluoroethyl)furan
CID 67627445
2-(4-aminophenyl)-2-methyl-3-thiophen-2-ylpropanenitrile
CID 117048848
1-(furan-2-yl)-3-(4-methylphenyl)propan-2-one
CID 83172579
3-(furan-2-yl)-2,2-dimethylpropanoic acid
CID 62997938
2-[1-amino-3-(furan-2-yl)-2-methylpropan-2-yl]benzonitrile
CID 117048670
2-(furan-2-ylmethyl)-2-(3-methylphenyl)propane-1,3-diol
CID 79450066
1-(4-tert-butylphenyl)-4-(furan-2-yl)butan-2-one
CID 105089444
2-(3,5-difluorophenyl)-3-(furan-2-yl)-2-methylpropan-1-amine
CID 117048648
N-[2-(furan-2-yl)ethyl]-4-methylbenzamide
CID 5305680

Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-yl)-2-methyl-2-(4-methylphenyl)propanenitrile?
The IUPAC name of 3-(furan-2-yl)-2-methyl-2-(4-methylphenyl)propanenitrile (CID 117048617) is 3-(furan-2-yl)-2-methyl-2-(4-methylphenyl)propanenitrile.
What is the SMILES notation for 3-(furan-2-yl)-2-methyl-2-(4-methylphenyl)propanenitrile?
The canonical SMILES for 3-(furan-2-yl)-2-methyl-2-(4-methylphenyl)propanenitrile is Cc1ccc(C(C)(C#N)Cc2ccco2)cc1.
What is the InChIKey of 3-(furan-2-yl)-2-methyl-2-(4-methylphenyl)propanenitrile?
The InChIKey is MKDZZJDLEZASFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO/c1-12-5-7-13(8-6-12)15(2,11-16)10-14-4-3-9-17-14/h3-9H,10H2,1-2H3.
What are the key properties of 3-(furan-2-yl)-2-methyl-2-(4-methylphenyl)propanenitrile?
3-(furan-2-yl)-2-methyl-2-(4-methylphenyl)propanenitrile has a molecular weight of 225.29 g/mol, XLogP of 3.61, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-yl)-2-methyl-2-(4-methylphenyl)propanenitrile is sourced from PubChem (CID 117048617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).