(2S)-3-hydroxy-2-naphthalen-1-ylpropanenitrile

C13H11NO — CID 132595061

IUPAC(2S)-3-hydroxy-2-naphthalen-1-ylpropanenitrile
SMILESN#C[C@@H](CO)c1cccc2ccccc12
InChIInChI=1S/C13H11NO/c14-8-11(9-15)13-7-3-5-10-4-1-2-6-12(10)13/h1-7,11,15H,9H2/t11-/m0/s1
InChIKeyXAGCGPZKPPVJNX-NSHDSACASA-N
MW197.24 g/mol
LogP2.44
Rot. Bonds2

About (2S)-3-hydroxy-2-naphthalen-1-ylpropanenitrile

(2S)-3-hydroxy-2-naphthalen-1-ylpropanenitrile (PubChem CID 132595061) has the molecular formula C13H11NO and a molecular weight of 197.24 g/mol. Its IUPAC name is (2S)-3-hydroxy-2-naphthalen-1-ylpropanenitrile.

Molecular Properties

Compound Name(2S)-3-hydroxy-2-naphthalen-1-ylpropanenitrile
PubChem CID132595061
Molecular FormulaC13H11NO
Molecular Weight197.24 g/mol
Exact Mass197.08
IUPAC Name(2S)-3-hydroxy-2-naphthalen-1-ylpropanenitrile
SMILESN#C[C@@H](CO)c1cccc2ccccc12
InChIInChI=1S/C13H11NO/c14-8-11(9-15)13-7-3-5-10-4-1-2-6-12(10)13/h1-7,11,15H,9H2/t11-/m0/s1
InChIKeyXAGCGPZKPPVJNX-NSHDSACASA-N
XLogP2.44
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-naphthalen-1-ylbutanenitrile
CID 132595059
(2S,3S)-3-hydroxy-2,3-dinaphthalen-1-ylpropanenitrile
CID 102509549
3,3,3-trideuterio-2-naphthalen-1-ylpropan-1-ol
CID 169444620
3-naphthalen-1-ylpent-4-yn-1-ol
CID 141253512
(1S,2S)-1,2-dinaphthalen-1-ylethane-1,2-diol
CID 10470897
3-hydroxy-2-phenylpropanenitrile
CID 11008065
3-(2,5-dimethylphenyl)-2-naphthalen-1-ylpropanenitrile
CID 82141330
2-cyano-3,3-dinaphthalen-1-ylpropanoic acid
CID 23634628
(2S,3R)-3-hydroxy-2-naphthalen-1-yl-3-phenylpropanenitrile
CID 102509565
2-[amino(naphthalen-1-yl)methyl]-3-methylbutanenitrile
CID 116946417
3-cyano-3-naphthalen-1-yl-2-oxopropanoate
CID 18663407
dinaphthalen-1-ylmethyl thiocyanate
CID 42603483

Frequently Asked Questions

What is the IUPAC name of (2S)-3-hydroxy-2-naphthalen-1-ylpropanenitrile?
The IUPAC name of (2S)-3-hydroxy-2-naphthalen-1-ylpropanenitrile (CID 132595061) is (2S)-3-hydroxy-2-naphthalen-1-ylpropanenitrile.
What is the SMILES notation for (2S)-3-hydroxy-2-naphthalen-1-ylpropanenitrile?
The canonical SMILES for (2S)-3-hydroxy-2-naphthalen-1-ylpropanenitrile is N#C[C@@H](CO)c1cccc2ccccc12.
What is the InChIKey of (2S)-3-hydroxy-2-naphthalen-1-ylpropanenitrile?
The InChIKey is XAGCGPZKPPVJNX-NSHDSACASA-N. The full InChI is InChI=1S/C13H11NO/c14-8-11(9-15)13-7-3-5-10-4-1-2-6-12(10)13/h1-7,11,15H,9H2/t11-/m0/s1.
What are the key properties of (2S)-3-hydroxy-2-naphthalen-1-ylpropanenitrile?
(2S)-3-hydroxy-2-naphthalen-1-ylpropanenitrile has a molecular weight of 197.24 g/mol, XLogP of 2.44, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-hydroxy-2-naphthalen-1-ylpropanenitrile is sourced from PubChem (CID 132595061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).