4-[(2R)-2-propan-2-ylpyrrolidin-1-yl]naphthalene-1-carbonitrile

C18H20N2 — CID 68711746

IUPAC4-[(2R)-2-propan-2-ylpyrrolidin-1-yl]naphthalene-1-carbonitrile
SMILESCC(C)[C@H]1CCCN1c1ccc(C#N)c2ccccc12
InChIInChI=1S/C18H20N2/c1-13(2)17-8-5-11-20(17)18-10-9-14(12-19)15-6-3-4-7-16(15)18/h3-4,6-7,9-10,13,17H,5,8,11H2,1-2H3/t17-/m1/s1
InChIKeyXYXBSMMPIGQJQP-QGZVFWFLSA-N
MW264.37 g/mol
LogP4.34
Rot. Bonds2

About 4-[(2R)-2-propan-2-ylpyrrolidin-1-yl]naphthalene-1-carbonitrile

4-[(2R)-2-propan-2-ylpyrrolidin-1-yl]naphthalene-1-carbonitrile (PubChem CID 68711746) has the molecular formula C18H20N2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 4-[(2R)-2-propan-2-ylpyrrolidin-1-yl]naphthalene-1-carbonitrile.

Molecular Properties

Compound Name4-[(2R)-2-propan-2-ylpyrrolidin-1-yl]naphthalene-1-carbonitrile
PubChem CID68711746
Molecular FormulaC18H20N2
Molecular Weight264.37 g/mol
Exact Mass264.16
IUPAC Name4-[(2R)-2-propan-2-ylpyrrolidin-1-yl]naphthalene-1-carbonitrile
SMILESCC(C)[C@H]1CCCN1c1ccc(C#N)c2ccccc12
InChIInChI=1S/C18H20N2/c1-13(2)17-8-5-11-20(17)18-10-9-14(12-19)15-6-3-4-7-16(15)18/h3-4,6-7,9-10,13,17H,5,8,11H2,1-2H3/t17-/m1/s1
InChIKeyXYXBSMMPIGQJQP-QGZVFWFLSA-N
XLogP4.34
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-[(2R)-2-propan-2-ylpyrrolidin-1-yl]naphthalene-1-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[(2R)-2-propan-2-ylpyrrolidin-1-yl]naphthalene-1-carbonitrile?
The IUPAC name of 4-[(2R)-2-propan-2-ylpyrrolidin-1-yl]naphthalene-1-carbonitrile (CID 68711746) is 4-[(2R)-2-propan-2-ylpyrrolidin-1-yl]naphthalene-1-carbonitrile.
What is the SMILES notation for 4-[(2R)-2-propan-2-ylpyrrolidin-1-yl]naphthalene-1-carbonitrile?
The canonical SMILES for 4-[(2R)-2-propan-2-ylpyrrolidin-1-yl]naphthalene-1-carbonitrile is CC(C)[C@H]1CCCN1c1ccc(C#N)c2ccccc12.
What is the InChIKey of 4-[(2R)-2-propan-2-ylpyrrolidin-1-yl]naphthalene-1-carbonitrile?
The InChIKey is XYXBSMMPIGQJQP-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H20N2/c1-13(2)17-8-5-11-20(17)18-10-9-14(12-19)15-6-3-4-7-16(15)18/h3-4,6-7,9-10,13,17H,5,8,11H2,1-2H3/t17-/m1/s1.
What are the key properties of 4-[(2R)-2-propan-2-ylpyrrolidin-1-yl]naphthalene-1-carbonitrile?
4-[(2R)-2-propan-2-ylpyrrolidin-1-yl]naphthalene-1-carbonitrile has a molecular weight of 264.37 g/mol, XLogP of 4.34, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2R)-2-propan-2-ylpyrrolidin-1-yl]naphthalene-1-carbonitrile is sourced from PubChem (CID 68711746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).