4-(2-pyrrolidin-1-ylpentanoyl)benzonitrile

C16H20N2O — CID 11550626

IUPAC4-(2-pyrrolidin-1-ylpentanoyl)benzonitrile
SMILESCCCC(C(=O)c1ccc(C#N)cc1)N1CCCC1
InChIInChI=1S/C16H20N2O/c1-2-5-15(18-10-3-4-11-18)16(19)14-8-6-13(12-17)7-9-14/h6-9,15H,2-5,10-11H2,1H3
InChIKeyAQQRGNNYEPRIIF-UHFFFAOYSA-N
MW256.35 g/mol
LogP3.01
Rot. Bonds5

About 4-(2-pyrrolidin-1-ylpentanoyl)benzonitrile

4-(2-pyrrolidin-1-ylpentanoyl)benzonitrile (PubChem CID 11550626) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is 4-(2-pyrrolidin-1-ylpentanoyl)benzonitrile.

Molecular Properties

Compound Name4-(2-pyrrolidin-1-ylpentanoyl)benzonitrile
PubChem CID11550626
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name4-(2-pyrrolidin-1-ylpentanoyl)benzonitrile
SMILESCCCC(C(=O)c1ccc(C#N)cc1)N1CCCC1
InChIInChI=1S/C16H20N2O/c1-2-5-15(18-10-3-4-11-18)16(19)14-8-6-13(12-17)7-9-14/h6-9,15H,2-5,10-11H2,1H3
InChIKeyAQQRGNNYEPRIIF-UHFFFAOYSA-N
XLogP3.01
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-pyrrolidin-1-ylpentanoyl)benzonitrile?
The IUPAC name of 4-(2-pyrrolidin-1-ylpentanoyl)benzonitrile (CID 11550626) is 4-(2-pyrrolidin-1-ylpentanoyl)benzonitrile.
What is the SMILES notation for 4-(2-pyrrolidin-1-ylpentanoyl)benzonitrile?
The canonical SMILES for 4-(2-pyrrolidin-1-ylpentanoyl)benzonitrile is CCCC(C(=O)c1ccc(C#N)cc1)N1CCCC1.
What is the InChIKey of 4-(2-pyrrolidin-1-ylpentanoyl)benzonitrile?
The InChIKey is AQQRGNNYEPRIIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-2-5-15(18-10-3-4-11-18)16(19)14-8-6-13(12-17)7-9-14/h6-9,15H,2-5,10-11H2,1H3.
What are the key properties of 4-(2-pyrrolidin-1-ylpentanoyl)benzonitrile?
4-(2-pyrrolidin-1-ylpentanoyl)benzonitrile has a molecular weight of 256.35 g/mol, XLogP of 3.01, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-pyrrolidin-1-ylpentanoyl)benzonitrile is sourced from PubChem (CID 11550626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).