(2R)-1-(4-cyanonaphthalen-1-yl)pyrrolidine-2-carbonitrile

C16H13N3 — CID 68713946

IUPAC(2R)-1-(4-cyanonaphthalen-1-yl)pyrrolidine-2-carbonitrile
SMILESN#Cc1ccc(N2CCC[C@@H]2C#N)c2ccccc12
InChIInChI=1S/C16H13N3/c17-10-12-7-8-16(15-6-2-1-5-14(12)15)19-9-3-4-13(19)11-18/h1-2,5-8,13H,3-4,9H2/t13-/m1/s1
InChIKeyZSRZWOCLRCXTHZ-CYBMUJFWSA-N
MW247.30 g/mol
LogP3.20
Rot. Bonds1

About (2R)-1-(4-cyanonaphthalen-1-yl)pyrrolidine-2-carbonitrile

(2R)-1-(4-cyanonaphthalen-1-yl)pyrrolidine-2-carbonitrile (PubChem CID 68713946) has the molecular formula C16H13N3 and a molecular weight of 247.30 g/mol. Its IUPAC name is (2R)-1-(4-cyanonaphthalen-1-yl)pyrrolidine-2-carbonitrile.

Molecular Properties

Compound Name(2R)-1-(4-cyanonaphthalen-1-yl)pyrrolidine-2-carbonitrile
PubChem CID68713946
Molecular FormulaC16H13N3
Molecular Weight247.30 g/mol
Exact Mass247.11
IUPAC Name(2R)-1-(4-cyanonaphthalen-1-yl)pyrrolidine-2-carbonitrile
SMILESN#Cc1ccc(N2CCC[C@@H]2C#N)c2ccccc12
InChIInChI=1S/C16H13N3/c17-10-12-7-8-16(15-6-2-1-5-14(12)15)19-9-3-4-13(19)11-18/h1-2,5-8,13H,3-4,9H2/t13-/m1/s1
InChIKeyZSRZWOCLRCXTHZ-CYBMUJFWSA-N
XLogP3.20
TPSA50.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-(4-cyanonaphthalen-1-yl)pyrrolidine-2-carbonitrile?
The IUPAC name of (2R)-1-(4-cyanonaphthalen-1-yl)pyrrolidine-2-carbonitrile (CID 68713946) is (2R)-1-(4-cyanonaphthalen-1-yl)pyrrolidine-2-carbonitrile.
What is the SMILES notation for (2R)-1-(4-cyanonaphthalen-1-yl)pyrrolidine-2-carbonitrile?
The canonical SMILES for (2R)-1-(4-cyanonaphthalen-1-yl)pyrrolidine-2-carbonitrile is N#Cc1ccc(N2CCC[C@@H]2C#N)c2ccccc12.
What is the InChIKey of (2R)-1-(4-cyanonaphthalen-1-yl)pyrrolidine-2-carbonitrile?
The InChIKey is ZSRZWOCLRCXTHZ-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H13N3/c17-10-12-7-8-16(15-6-2-1-5-14(12)15)19-9-3-4-13(19)11-18/h1-2,5-8,13H,3-4,9H2/t13-/m1/s1.
What are the key properties of (2R)-1-(4-cyanonaphthalen-1-yl)pyrrolidine-2-carbonitrile?
(2R)-1-(4-cyanonaphthalen-1-yl)pyrrolidine-2-carbonitrile has a molecular weight of 247.30 g/mol, XLogP of 3.20, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(4-cyanonaphthalen-1-yl)pyrrolidine-2-carbonitrile is sourced from PubChem (CID 68713946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).