2-ethyl-1-methyl-3-phenylpyrrolidine-3-carbonitrile

C14H18N2 — CID 154345951

IUPAC2-ethyl-1-methyl-3-phenylpyrrolidine-3-carbonitrile
SMILESCCC1N(C)CCC1(C#N)c1ccccc1
InChIInChI=1S/C14H18N2/c1-3-13-14(11-15,9-10-16(13)2)12-7-5-4-6-8-12/h4-8,13H,3,9-10H2,1-2H3
InChIKeyQLPJFGLAKFYRLI-UHFFFAOYSA-N
MW214.31 g/mol
LogP2.56
Rot. Bonds2

About 2-ethyl-1-methyl-3-phenylpyrrolidine-3-carbonitrile

2-ethyl-1-methyl-3-phenylpyrrolidine-3-carbonitrile (PubChem CID 154345951) has the molecular formula C14H18N2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 2-ethyl-1-methyl-3-phenylpyrrolidine-3-carbonitrile.

Molecular Properties

Compound Name2-ethyl-1-methyl-3-phenylpyrrolidine-3-carbonitrile
PubChem CID154345951
Molecular FormulaC14H18N2
Molecular Weight214.31 g/mol
Exact Mass214.15
IUPAC Name2-ethyl-1-methyl-3-phenylpyrrolidine-3-carbonitrile
SMILESCCC1N(C)CCC1(C#N)c1ccccc1
InChIInChI=1S/C14H18N2/c1-3-13-14(11-15,9-10-16(13)2)12-7-5-4-6-8-12/h4-8,13H,3,9-10H2,1-2H3
InChIKeyQLPJFGLAKFYRLI-UHFFFAOYSA-N
XLogP2.56
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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1,2-dimethyl-3,3-diphenylpyrrolidine
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3-methyl-5,5-diphenyl-4H-pyrazole-3-carbonitrile
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4-hydroxy-1,3-dimethyl-2-phenylpiperidine-4-carbonitrile
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1-ethyl-4-methyl-4-phenylpiperidine
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1-methyl-2,3-diphenylpyrrolidin-3-ol;propanoic acid
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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-methyl-3-phenylpyrrolidine-3-carbonitrile?
The IUPAC name of 2-ethyl-1-methyl-3-phenylpyrrolidine-3-carbonitrile (CID 154345951) is 2-ethyl-1-methyl-3-phenylpyrrolidine-3-carbonitrile.
What is the SMILES notation for 2-ethyl-1-methyl-3-phenylpyrrolidine-3-carbonitrile?
The canonical SMILES for 2-ethyl-1-methyl-3-phenylpyrrolidine-3-carbonitrile is CCC1N(C)CCC1(C#N)c1ccccc1.
What is the InChIKey of 2-ethyl-1-methyl-3-phenylpyrrolidine-3-carbonitrile?
The InChIKey is QLPJFGLAKFYRLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2/c1-3-13-14(11-15,9-10-16(13)2)12-7-5-4-6-8-12/h4-8,13H,3,9-10H2,1-2H3.
What are the key properties of 2-ethyl-1-methyl-3-phenylpyrrolidine-3-carbonitrile?
2-ethyl-1-methyl-3-phenylpyrrolidine-3-carbonitrile has a molecular weight of 214.31 g/mol, XLogP of 2.56, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-methyl-3-phenylpyrrolidine-3-carbonitrile is sourced from PubChem (CID 154345951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).