(2S)-2-naphthalen-1-ylbutanenitrile

C14H13N — CID 132595059

IUPAC(2S)-2-naphthalen-1-ylbutanenitrile
SMILESCC[C@H](C#N)c1cccc2ccccc12
InChIInChI=1S/C14H13N/c1-2-11(10-15)13-9-5-7-12-6-3-4-8-14(12)13/h3-9,11H,2H2,1H3/t11-/m1/s1
InChIKeyZCGOTJSOUHMANH-LLVKDONJSA-N
MW195.26 g/mol
LogP3.86
Rot. Bonds2

About (2S)-2-naphthalen-1-ylbutanenitrile

(2S)-2-naphthalen-1-ylbutanenitrile (PubChem CID 132595059) has the molecular formula C14H13N and a molecular weight of 195.26 g/mol. Its IUPAC name is (2S)-2-naphthalen-1-ylbutanenitrile.

Molecular Properties

Compound Name(2S)-2-naphthalen-1-ylbutanenitrile
PubChem CID132595059
Molecular FormulaC14H13N
Molecular Weight195.26 g/mol
Exact Mass195.10
IUPAC Name(2S)-2-naphthalen-1-ylbutanenitrile
SMILESCC[C@H](C#N)c1cccc2ccccc12
InChIInChI=1S/C14H13N/c1-2-11(10-15)13-9-5-7-12-6-3-4-8-14(12)13/h3-9,11H,2H2,1H3/t11-/m1/s1
InChIKeyZCGOTJSOUHMANH-LLVKDONJSA-N
XLogP3.86
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(2S)-3-hydroxy-2-naphthalen-1-ylpropanenitrile
CID 132595061
3-(2,5-dimethylphenyl)-2-naphthalen-1-ylpropanenitrile
CID 82141330
2-(2,3-dichlorophenyl)butanenitrile
CID 89480048
dinaphthalen-1-ylmethyl thiocyanate
CID 42603483
(1R)-1-naphthalen-1-ylpropan-1-ol
CID 10877844
2-[hydroxy(naphthalen-1-yl)methyl]pentanenitrile
CID 79412199
2-(1-cyanopropyl)-6-fluorobenzonitrile
CID 130134605
2-(2-amino-3-fluorophenyl)butanenitrile
CID 130134706
ethyl 2-cyano-2-naphthalen-1-ylacetate
CID 11031963
1-[1-(1-naphthalen-1-ylpropoxy)propyl]naphthalene
CID 57075140
2-[amino(naphthalen-1-yl)methyl]-3-methylbutanenitrile
CID 116946417
(1R,2S)-1-amino-1-naphthalen-1-ylbutan-2-ol
CID 171161126

Frequently Asked Questions

What is the IUPAC name of (2S)-2-naphthalen-1-ylbutanenitrile?
The IUPAC name of (2S)-2-naphthalen-1-ylbutanenitrile (CID 132595059) is (2S)-2-naphthalen-1-ylbutanenitrile.
What is the SMILES notation for (2S)-2-naphthalen-1-ylbutanenitrile?
The canonical SMILES for (2S)-2-naphthalen-1-ylbutanenitrile is CC[C@H](C#N)c1cccc2ccccc12.
What is the InChIKey of (2S)-2-naphthalen-1-ylbutanenitrile?
The InChIKey is ZCGOTJSOUHMANH-LLVKDONJSA-N. The full InChI is InChI=1S/C14H13N/c1-2-11(10-15)13-9-5-7-12-6-3-4-8-14(12)13/h3-9,11H,2H2,1H3/t11-/m1/s1.
What are the key properties of (2S)-2-naphthalen-1-ylbutanenitrile?
(2S)-2-naphthalen-1-ylbutanenitrile has a molecular weight of 195.26 g/mol, XLogP of 3.86, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-naphthalen-1-ylbutanenitrile is sourced from PubChem (CID 132595059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).