2-methyl-1-(2-propan-2-ylphenyl)pyrrolidine-3-carbonitrile

C15H20N2 — CID 117022435

IUPAC2-methyl-1-(2-propan-2-ylphenyl)pyrrolidine-3-carbonitrile
SMILESCC(C)c1ccccc1N1CCC(C#N)C1C
InChIInChI=1S/C15H20N2/c1-11(2)14-6-4-5-7-15(14)17-9-8-13(10-16)12(17)3/h4-7,11-13H,8-9H2,1-3H3
InChIKeyLGELVVMQRNLTEM-UHFFFAOYSA-N
MW228.34 g/mol
LogP3.55
Rot. Bonds2

About 2-methyl-1-(2-propan-2-ylphenyl)pyrrolidine-3-carbonitrile

2-methyl-1-(2-propan-2-ylphenyl)pyrrolidine-3-carbonitrile (PubChem CID 117022435) has the molecular formula C15H20N2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 2-methyl-1-(2-propan-2-ylphenyl)pyrrolidine-3-carbonitrile.

Molecular Properties

Compound Name2-methyl-1-(2-propan-2-ylphenyl)pyrrolidine-3-carbonitrile
PubChem CID117022435
Molecular FormulaC15H20N2
Molecular Weight228.34 g/mol
Exact Mass228.16
IUPAC Name2-methyl-1-(2-propan-2-ylphenyl)pyrrolidine-3-carbonitrile
SMILESCC(C)c1ccccc1N1CCC(C#N)C1C
InChIInChI=1S/C15H20N2/c1-11(2)14-6-4-5-7-15(14)17-9-8-13(10-16)12(17)3/h4-7,11-13H,8-9H2,1-3H3
InChIKeyLGELVVMQRNLTEM-UHFFFAOYSA-N
XLogP3.55
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-fluorophenyl)-2-methylpyrrolidine-3-carbonitrile
CID 117022442
2-oxo-3-(2-propan-2-ylphenyl)-1,3-oxazinane-4-carbonitrile
CID 117010661
N-methyl-1-[2-(2-methylazetidin-1-yl)phenyl]ethanamine
CID 79678667
1,2-dimethylpyrrolidine-3-carbonitrile
CID 76609008
2-[2,2-dimethyl-1-(2-propan-2-ylphenyl)pyrrolidin-3-yl]acetonitrile
CID 117017498
1-(2-propan-2-ylphenyl)pyrrolidine
CID 10607693
1-[2-(2,4-dimethylpiperidin-1-yl)phenyl]ethanol
CID 55061562
3-[4-(2-propan-2-ylphenyl)piperazin-1-yl]propanenitrile
CID 117028309
2-(2-propan-2-ylphenoxy)cyclohexane-1-carbonitrile
CID 43292426
4,4-difluoro-1-(2-propan-2-ylphenyl)piperidine
CID 117007764
methyl 4-(3-cyano-2-methylpyrrolidin-1-yl)benzoate
CID 117022475
2-(3,4-dihydro-2H-quinolin-1-yl)cyclohexane-1-carbonitrile
CID 43291742

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(2-propan-2-ylphenyl)pyrrolidine-3-carbonitrile?
The IUPAC name of 2-methyl-1-(2-propan-2-ylphenyl)pyrrolidine-3-carbonitrile (CID 117022435) is 2-methyl-1-(2-propan-2-ylphenyl)pyrrolidine-3-carbonitrile.
What is the SMILES notation for 2-methyl-1-(2-propan-2-ylphenyl)pyrrolidine-3-carbonitrile?
The canonical SMILES for 2-methyl-1-(2-propan-2-ylphenyl)pyrrolidine-3-carbonitrile is CC(C)c1ccccc1N1CCC(C#N)C1C.
What is the InChIKey of 2-methyl-1-(2-propan-2-ylphenyl)pyrrolidine-3-carbonitrile?
The InChIKey is LGELVVMQRNLTEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2/c1-11(2)14-6-4-5-7-15(14)17-9-8-13(10-16)12(17)3/h4-7,11-13H,8-9H2,1-3H3.
What are the key properties of 2-methyl-1-(2-propan-2-ylphenyl)pyrrolidine-3-carbonitrile?
2-methyl-1-(2-propan-2-ylphenyl)pyrrolidine-3-carbonitrile has a molecular weight of 228.34 g/mol, XLogP of 3.55, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(2-propan-2-ylphenyl)pyrrolidine-3-carbonitrile is sourced from PubChem (CID 117022435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).