(2S,3S)-3-hydroxy-2,3-dinaphthalen-1-ylpropanenitrile

C23H17NO — CID 102509549

IUPAC(2S,3S)-3-hydroxy-2,3-dinaphthalen-1-ylpropanenitrile
SMILESN#C[C@H](c1cccc2ccccc12)[C@H](O)c1cccc2ccccc12
InChIInChI=1S/C23H17NO/c24-15-22(20-13-5-9-16-7-1-3-11-18(16)20)23(25)21-14-6-10-17-8-2-4-12-19(17)21/h1-14,22-23,25H/t22-,23-/m1/s1
InChIKeyIBNCXBIPKCEAAK-DHIUTWEWSA-N
MW323.40 g/mol
LogP5.33
Rot. Bonds3

About (2S,3S)-3-hydroxy-2,3-dinaphthalen-1-ylpropanenitrile

(2S,3S)-3-hydroxy-2,3-dinaphthalen-1-ylpropanenitrile (PubChem CID 102509549) has the molecular formula C23H17NO and a molecular weight of 323.40 g/mol. Its IUPAC name is (2S,3S)-3-hydroxy-2,3-dinaphthalen-1-ylpropanenitrile.

Molecular Properties

Compound Name(2S,3S)-3-hydroxy-2,3-dinaphthalen-1-ylpropanenitrile
PubChem CID102509549
Molecular FormulaC23H17NO
Molecular Weight323.40 g/mol
Exact Mass323.13
IUPAC Name(2S,3S)-3-hydroxy-2,3-dinaphthalen-1-ylpropanenitrile
SMILESN#C[C@H](c1cccc2ccccc12)[C@H](O)c1cccc2ccccc12
InChIInChI=1S/C23H17NO/c24-15-22(20-13-5-9-16-7-1-3-11-18(16)20)23(25)21-14-6-10-17-8-2-4-12-19(17)21/h1-14,22-23,25H/t22-,23-/m1/s1
InChIKeyIBNCXBIPKCEAAK-DHIUTWEWSA-N
XLogP5.33
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.40
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S,3R)-3-hydroxy-2-naphthalen-1-yl-3-phenylpropanenitrile
CID 102509565
(1S,2S)-1,2-dinaphthalen-1-ylethane-1,2-diol
CID 10470897
2-[hydroxy(naphthalen-1-yl)methyl]pentanenitrile
CID 79412199
2,2-dichloro-1-naphthalen-1-ylethanol
CID 164892097
(2S)-3-hydroxy-2-naphthalen-1-ylpropanenitrile
CID 132595061
2-methyl-1-naphthalen-1-ylbut-3-en-1-ol
CID 85312349
(2S)-2-naphthalen-1-ylbutanenitrile
CID 132595059
(1R)-1-naphthalen-1-ylpropan-1-ol
CID 10877844
3,4-dihydroxy-4-naphthalen-1-ylbutanamide
CID 171899361
1-naphthalen-1-ylprop-2-yn-1-ol
CID 12661155
2-[amino(naphthalen-1-yl)methyl]-3-methylbutanenitrile
CID 116946417
2-cyano-3,3-dinaphthalen-1-ylpropanoic acid
CID 23634628

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-3-hydroxy-2,3-dinaphthalen-1-ylpropanenitrile?
The IUPAC name of (2S,3S)-3-hydroxy-2,3-dinaphthalen-1-ylpropanenitrile (CID 102509549) is (2S,3S)-3-hydroxy-2,3-dinaphthalen-1-ylpropanenitrile.
What is the SMILES notation for (2S,3S)-3-hydroxy-2,3-dinaphthalen-1-ylpropanenitrile?
The canonical SMILES for (2S,3S)-3-hydroxy-2,3-dinaphthalen-1-ylpropanenitrile is N#C[C@H](c1cccc2ccccc12)[C@H](O)c1cccc2ccccc12.
What is the InChIKey of (2S,3S)-3-hydroxy-2,3-dinaphthalen-1-ylpropanenitrile?
The InChIKey is IBNCXBIPKCEAAK-DHIUTWEWSA-N. The full InChI is InChI=1S/C23H17NO/c24-15-22(20-13-5-9-16-7-1-3-11-18(16)20)23(25)21-14-6-10-17-8-2-4-12-19(17)21/h1-14,22-23,25H/t22-,23-/m1/s1.
What are the key properties of (2S,3S)-3-hydroxy-2,3-dinaphthalen-1-ylpropanenitrile?
(2S,3S)-3-hydroxy-2,3-dinaphthalen-1-ylpropanenitrile has a molecular weight of 323.40 g/mol, XLogP of 5.33, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-3-hydroxy-2,3-dinaphthalen-1-ylpropanenitrile is sourced from PubChem (CID 102509549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).