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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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).