4-[benzyl(methyl)amino]cyclopentene-1-carbonitrile

C14H16N2 — CID 66606872

IUPAC4-[benzyl(methyl)amino]cyclopentene-1-carbonitrile
SMILESCN(Cc1ccccc1)C1CC=C(C#N)C1
InChIInChI=1S/C14H16N2/c1-16(11-12-5-3-2-4-6-12)14-8-7-13(9-14)10-15/h2-7,14H,8-9,11H2,1H3
InChIKeyDRGRESOVDHGAOU-UHFFFAOYSA-N
MW212.30 g/mol
LogP2.73
Rot. Bonds3

About 4-[benzyl(methyl)amino]cyclopentene-1-carbonitrile

4-[benzyl(methyl)amino]cyclopentene-1-carbonitrile (PubChem CID 66606872) has the molecular formula C14H16N2 and a molecular weight of 212.30 g/mol. Its IUPAC name is 4-[benzyl(methyl)amino]cyclopentene-1-carbonitrile.

Molecular Properties

Compound Name4-[benzyl(methyl)amino]cyclopentene-1-carbonitrile
PubChem CID66606872
Molecular FormulaC14H16N2
Molecular Weight212.30 g/mol
Exact Mass212.13
IUPAC Name4-[benzyl(methyl)amino]cyclopentene-1-carbonitrile
SMILESCN(Cc1ccccc1)C1CC=C(C#N)C1
InChIInChI=1S/C14H16N2/c1-16(11-12-5-3-2-4-6-12)14-8-7-13(9-14)10-15/h2-7,14H,8-9,11H2,1H3
InChIKeyDRGRESOVDHGAOU-UHFFFAOYSA-N
XLogP2.73
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.30
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[benzyl(methyl)amino]cyclopentene-1-carbonitrile?
The IUPAC name of 4-[benzyl(methyl)amino]cyclopentene-1-carbonitrile (CID 66606872) is 4-[benzyl(methyl)amino]cyclopentene-1-carbonitrile.
What is the SMILES notation for 4-[benzyl(methyl)amino]cyclopentene-1-carbonitrile?
The canonical SMILES for 4-[benzyl(methyl)amino]cyclopentene-1-carbonitrile is CN(Cc1ccccc1)C1CC=C(C#N)C1.
What is the InChIKey of 4-[benzyl(methyl)amino]cyclopentene-1-carbonitrile?
The InChIKey is DRGRESOVDHGAOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2/c1-16(11-12-5-3-2-4-6-12)14-8-7-13(9-14)10-15/h2-7,14H,8-9,11H2,1H3.
What are the key properties of 4-[benzyl(methyl)amino]cyclopentene-1-carbonitrile?
4-[benzyl(methyl)amino]cyclopentene-1-carbonitrile has a molecular weight of 212.30 g/mol, XLogP of 2.73, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[benzyl(methyl)amino]cyclopentene-1-carbonitrile is sourced from PubChem (CID 66606872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).