4-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]naphthalen-2-yl]benzonitrile

C24H24N2 — CID 10042900

IUPAC4-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]naphthalen-2-yl]benzonitrile
SMILESC[C@@H]1CCCN1CCc1ccc2cc(-c3ccc(C#N)cc3)ccc2c1
InChIInChI=1S/C24H24N2/c1-18-3-2-13-26(18)14-12-19-4-9-24-16-23(11-10-22(24)15-19)21-7-5-20(17-25)6-8-21/h4-11,15-16,18H,2-3,12-14H2,1H3/t18-/m1/s1
InChIKeyAULXVGJBLMFJCV-GOSISDBHSA-N
MW340.47 g/mol
LogP5.41
Rot. Bonds4

About 4-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]naphthalen-2-yl]benzonitrile

4-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]naphthalen-2-yl]benzonitrile (PubChem CID 10042900) has the molecular formula C24H24N2 and a molecular weight of 340.47 g/mol. Its IUPAC name is 4-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]naphthalen-2-yl]benzonitrile.

Molecular Properties

Compound Name4-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]naphthalen-2-yl]benzonitrile
PubChem CID10042900
Molecular FormulaC24H24N2
Molecular Weight340.47 g/mol
Exact Mass340.19
IUPAC Name4-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]naphthalen-2-yl]benzonitrile
SMILESC[C@@H]1CCCN1CCc1ccc2cc(-c3ccc(C#N)cc3)ccc2c1
InChIInChI=1S/C24H24N2/c1-18-3-2-13-26(18)14-12-19-4-9-24-16-23(11-10-22(24)15-19)21-7-5-20(17-25)6-8-21/h4-11,15-16,18H,2-3,12-14H2,1H3/t18-/m1/s1
InChIKeyAULXVGJBLMFJCV-GOSISDBHSA-N
XLogP5.41
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.47
LogP ≤ 55.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(S)-4-(6-(2-(2-methylpyrrolidin-1-yl)ethyl)naphthalen-2-yl)benzonitrile
CID 9997377
(S)-4-(6-(2-(2-(hydroxymethyl)pyrrolidin-1-yl)ethyl)naphthalen-2-yl)benzonitrile
CID 10066872
4-(6-(2-(2-Methylpyrrolidin-1-yl)ethyl)naphthalen-2-yl)benzonitrile
CID 10088634
(S)-4-(6-(2-(2-(fluoromethyl)pyrrolidin-1-yl)ethyl)naphthalen-2-yl)benzonitrile
CID 10247831
4-(6-(2-(Diethylamino)ethyl)naphthalen-2-yl)benzonitrile
CID 10359169
4-(6-(2-(Pyrrolidin-1-yl)ethyl)naphthalen-2-yl)benzonitrile
CID 10426540
4'-{3[(2R)-2-Methyl-pyrrolidin-1-yl]-cis-cyclobutyl}-biphenyl-4-carbonitrile
CID 11973711
3-(Naphth-2-yl)-8-methyl-8-azabicyclo[3.2.1]octane
CID 18689926
n,n-Dimethyl-1-(1-(naphthalen-2-yl)cyclohexyl)ethanamine
CID 20111627
1-[2-(Naphthalen-2-yl)ethyl]pyrrolidine
CID 44455950
(2S)-5-naphthalen-1-yl-N,N-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 46233450
4-(6-(2-(2-Isopropylpyrrolidin-1-yl)ethyl)naphthalen-2-yl)benzonitrile
CID 10044556

Frequently Asked Questions

What is the IUPAC name of 4-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]naphthalen-2-yl]benzonitrile?
The IUPAC name of 4-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]naphthalen-2-yl]benzonitrile (CID 10042900) is 4-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]naphthalen-2-yl]benzonitrile.
What is the SMILES notation for 4-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]naphthalen-2-yl]benzonitrile?
The canonical SMILES for 4-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]naphthalen-2-yl]benzonitrile is C[C@@H]1CCCN1CCc1ccc2cc(-c3ccc(C#N)cc3)ccc2c1.
What is the InChIKey of 4-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]naphthalen-2-yl]benzonitrile?
The InChIKey is AULXVGJBLMFJCV-GOSISDBHSA-N. The full InChI is InChI=1S/C24H24N2/c1-18-3-2-13-26(18)14-12-19-4-9-24-16-23(11-10-22(24)15-19)21-7-5-20(17-25)6-8-21/h4-11,15-16,18H,2-3,12-14H2,1H3/t18-/m1/s1.
What are the key properties of 4-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]naphthalen-2-yl]benzonitrile?
4-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]naphthalen-2-yl]benzonitrile has a molecular weight of 340.47 g/mol, XLogP of 5.41, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]naphthalen-2-yl]benzonitrile is sourced from PubChem (CID 10042900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).