(2R)-2-(hydroxymethyl)-3-naphthalen-1-ylpropanenitrile

C14H13NO — CID 95032246

IUPAC(2R)-2-(hydroxymethyl)-3-naphthalen-1-ylpropanenitrile
SMILESN#C[C@H](CO)Cc1cccc2ccccc12
InChIInChI=1S/C14H13NO/c15-9-11(10-16)8-13-6-3-5-12-4-1-2-7-14(12)13/h1-7,11,16H,8,10H2/t11-/m1/s1
InChIKeyDOZQWQFFVDVOQP-LLVKDONJSA-N
MW211.26 g/mol
LogP2.51
Rot. Bonds3

About (2R)-2-(hydroxymethyl)-3-naphthalen-1-ylpropanenitrile

(2R)-2-(hydroxymethyl)-3-naphthalen-1-ylpropanenitrile (PubChem CID 95032246) has the molecular formula C14H13NO and a molecular weight of 211.26 g/mol. Its IUPAC name is (2R)-2-(hydroxymethyl)-3-naphthalen-1-ylpropanenitrile.

Molecular Properties

Compound Name(2R)-2-(hydroxymethyl)-3-naphthalen-1-ylpropanenitrile
PubChem CID95032246
Molecular FormulaC14H13NO
Molecular Weight211.26 g/mol
Exact Mass211.10
IUPAC Name(2R)-2-(hydroxymethyl)-3-naphthalen-1-ylpropanenitrile
SMILESN#C[C@H](CO)Cc1cccc2ccccc12
InChIInChI=1S/C14H13NO/c15-9-11(10-16)8-13-6-3-5-12-4-1-2-7-14(12)13/h1-7,11,16H,8,10H2/t11-/m1/s1
InChIKeyDOZQWQFFVDVOQP-LLVKDONJSA-N
XLogP2.51
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-2-(naphthalen-1-ylmethyl)butanenitrile
CID 116931776
(2S)-2-amino-3-naphthalen-1-ylpropan-1-ol
CID 57252069
(2R)-2-(hydroxymethyl)-3-naphthalen-1-ylpropanoic acid
CID 10466391
1-chloro-2-naphthalen-1-ylethanol
CID 54087449
(2S)-3-hydroxy-2-naphthalen-1-ylpropanenitrile
CID 132595061
2-(2-methoxyphenyl)-3-naphthalen-1-ylpropanenitrile
CID 82139768
(2R)-4-cyano-2-(naphthalen-1-ylmethyl)butanoic acid
CID 18611834
2-methyl-3-naphthalen-1-ylpropane-1,1-diol
CID 20647931
2-(3-naphthalen-1-ylpropyl)propanedinitrile
CID 19955544
1-(2-chloropropyl)naphthalene
CID 12809422
naphthalen-1-ylmethyl thiocyanate
CID 10943491
1,1,1-trifluoro-3-naphthalen-1-ylpropan-2-ol
CID 62963158

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(hydroxymethyl)-3-naphthalen-1-ylpropanenitrile?
The IUPAC name of (2R)-2-(hydroxymethyl)-3-naphthalen-1-ylpropanenitrile (CID 95032246) is (2R)-2-(hydroxymethyl)-3-naphthalen-1-ylpropanenitrile.
What is the SMILES notation for (2R)-2-(hydroxymethyl)-3-naphthalen-1-ylpropanenitrile?
The canonical SMILES for (2R)-2-(hydroxymethyl)-3-naphthalen-1-ylpropanenitrile is N#C[C@H](CO)Cc1cccc2ccccc12.
What is the InChIKey of (2R)-2-(hydroxymethyl)-3-naphthalen-1-ylpropanenitrile?
The InChIKey is DOZQWQFFVDVOQP-LLVKDONJSA-N. The full InChI is InChI=1S/C14H13NO/c15-9-11(10-16)8-13-6-3-5-12-4-1-2-7-14(12)13/h1-7,11,16H,8,10H2/t11-/m1/s1.
What are the key properties of (2R)-2-(hydroxymethyl)-3-naphthalen-1-ylpropanenitrile?
(2R)-2-(hydroxymethyl)-3-naphthalen-1-ylpropanenitrile has a molecular weight of 211.26 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(hydroxymethyl)-3-naphthalen-1-ylpropanenitrile is sourced from PubChem (CID 95032246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).