2-methyl-1-(1-phenylethyl)pyrrolidine-2-carbonitrile

C14H18N2 — CID 78011341

IUPAC2-methyl-1-(1-phenylethyl)pyrrolidine-2-carbonitrile
SMILESCC(c1ccccc1)N1CCCC1(C)C#N
InChIInChI=1S/C14H18N2/c1-12(13-7-4-3-5-8-13)16-10-6-9-14(16,2)11-15/h3-5,7-8,12H,6,9-10H2,1-2H3
InChIKeyNHXPKXJMZBPOTP-UHFFFAOYSA-N
MW214.31 g/mol
LogP3.13
Rot. Bonds2

About 2-methyl-1-(1-phenylethyl)pyrrolidine-2-carbonitrile

2-methyl-1-(1-phenylethyl)pyrrolidine-2-carbonitrile (PubChem CID 78011341) has the molecular formula C14H18N2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 2-methyl-1-(1-phenylethyl)pyrrolidine-2-carbonitrile.

Molecular Properties

Compound Name2-methyl-1-(1-phenylethyl)pyrrolidine-2-carbonitrile
PubChem CID78011341
Molecular FormulaC14H18N2
Molecular Weight214.31 g/mol
Exact Mass214.15
IUPAC Name2-methyl-1-(1-phenylethyl)pyrrolidine-2-carbonitrile
SMILESCC(c1ccccc1)N1CCCC1(C)C#N
InChIInChI=1S/C14H18N2/c1-12(13-7-4-3-5-8-13)16-10-6-9-14(16,2)11-15/h3-5,7-8,12H,6,9-10H2,1-2H3
InChIKeyNHXPKXJMZBPOTP-UHFFFAOYSA-N
XLogP3.13
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 ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-dimethyl-1-(1-phenylethyl)-1,5-diazocane
CID 117014797
2-diethoxyphosphoryl-2-methyl-1-[(1R)-1-phenylethyl]pyrrolidine
CID 102449171
3-(2,2-dimethylpyrrolidin-1-yl)-3-phenylpropanenitrile
CID 63219905
2-ethyl-1-(1-phenylethyl)pyrrolidine-2-carboxylic acid
CID 83080387
6,6-dimethyl-1-(1-phenylethyl)piperidin-3-one
CID 117020911
(1R)-6,7-dimethoxy-1-methyl-2-[(1R)-1-phenylethyl]-3,4-dihydroisoquinoline-1-carbonitrile
CID 46915009
4-cyano-1-(1-phenylethyl)piperidine-4-carboxylic acid
CID 117008017
4-methyl-1-(1-phenylethyl)azepan-4-ol
CID 107407753
2,2-dimethyl-1-(1-phenylethyl)piperidine-3-carboxylic acid
CID 117019429
[2,2-dimethyl-1-(1-phenylethyl)piperidin-3-yl]methanol
CID 117019776
1-[1-(4-cyanophenyl)ethyl]-2-methylpiperidine-2-carboxylic acid
CID 104599037
1-(1-phenylethyl)-1-azaspiro[4.5]decan-4-one
CID 172837508

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(1-phenylethyl)pyrrolidine-2-carbonitrile?
The IUPAC name of 2-methyl-1-(1-phenylethyl)pyrrolidine-2-carbonitrile (CID 78011341) is 2-methyl-1-(1-phenylethyl)pyrrolidine-2-carbonitrile.
What is the SMILES notation for 2-methyl-1-(1-phenylethyl)pyrrolidine-2-carbonitrile?
The canonical SMILES for 2-methyl-1-(1-phenylethyl)pyrrolidine-2-carbonitrile is CC(c1ccccc1)N1CCCC1(C)C#N.
What is the InChIKey of 2-methyl-1-(1-phenylethyl)pyrrolidine-2-carbonitrile?
The InChIKey is NHXPKXJMZBPOTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2/c1-12(13-7-4-3-5-8-13)16-10-6-9-14(16,2)11-15/h3-5,7-8,12H,6,9-10H2,1-2H3.
What are the key properties of 2-methyl-1-(1-phenylethyl)pyrrolidine-2-carbonitrile?
2-methyl-1-(1-phenylethyl)pyrrolidine-2-carbonitrile has a molecular weight of 214.31 g/mol, XLogP of 3.13, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(1-phenylethyl)pyrrolidine-2-carbonitrile is sourced from PubChem (CID 78011341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).