(1R)-2-(hydroxymethyl)-1-naphthalen-1-ylcyclopropane-1-carbonitrile

C15H13NO — CID 66781211

IUPAC(1R)-2-(hydroxymethyl)-1-naphthalen-1-ylcyclopropane-1-carbonitrile
SMILESN#C[C@]1(c2cccc3ccccc23)CC1CO
InChIInChI=1S/C15H13NO/c16-10-15(8-12(15)9-17)14-7-3-5-11-4-1-2-6-13(11)14/h1-7,12,17H,8-9H2/t12?,15-/m1/s1
InChIKeyQUHYVIFVEUXGBW-WPZCJLIBSA-N
MW223.28 g/mol
LogP2.61
Rot. Bonds2

About (1R)-2-(hydroxymethyl)-1-naphthalen-1-ylcyclopropane-1-carbonitrile

(1R)-2-(hydroxymethyl)-1-naphthalen-1-ylcyclopropane-1-carbonitrile (PubChem CID 66781211) has the molecular formula C15H13NO and a molecular weight of 223.28 g/mol. Its IUPAC name is (1R)-2-(hydroxymethyl)-1-naphthalen-1-ylcyclopropane-1-carbonitrile.

Molecular Properties

Compound Name(1R)-2-(hydroxymethyl)-1-naphthalen-1-ylcyclopropane-1-carbonitrile
PubChem CID66781211
Molecular FormulaC15H13NO
Molecular Weight223.28 g/mol
Exact Mass223.10
IUPAC Name(1R)-2-(hydroxymethyl)-1-naphthalen-1-ylcyclopropane-1-carbonitrile
SMILESN#C[C@]1(c2cccc3ccccc23)CC1CO
InChIInChI=1S/C15H13NO/c16-10-15(8-12(15)9-17)14-7-3-5-11-4-1-2-6-13(11)14/h1-7,12,17H,8-9H2/t12?,15-/m1/s1
InChIKeyQUHYVIFVEUXGBW-WPZCJLIBSA-N
XLogP2.61
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R)-2-(hydroxymethyl)-1-naphthalen-1-ylcyclopropane-1-carbonitrile?
The IUPAC name of (1R)-2-(hydroxymethyl)-1-naphthalen-1-ylcyclopropane-1-carbonitrile (CID 66781211) is (1R)-2-(hydroxymethyl)-1-naphthalen-1-ylcyclopropane-1-carbonitrile.
What is the SMILES notation for (1R)-2-(hydroxymethyl)-1-naphthalen-1-ylcyclopropane-1-carbonitrile?
The canonical SMILES for (1R)-2-(hydroxymethyl)-1-naphthalen-1-ylcyclopropane-1-carbonitrile is N#C[C@]1(c2cccc3ccccc23)CC1CO.
What is the InChIKey of (1R)-2-(hydroxymethyl)-1-naphthalen-1-ylcyclopropane-1-carbonitrile?
The InChIKey is QUHYVIFVEUXGBW-WPZCJLIBSA-N. The full InChI is InChI=1S/C15H13NO/c16-10-15(8-12(15)9-17)14-7-3-5-11-4-1-2-6-13(11)14/h1-7,12,17H,8-9H2/t12?,15-/m1/s1.
What are the key properties of (1R)-2-(hydroxymethyl)-1-naphthalen-1-ylcyclopropane-1-carbonitrile?
(1R)-2-(hydroxymethyl)-1-naphthalen-1-ylcyclopropane-1-carbonitrile has a molecular weight of 223.28 g/mol, XLogP of 2.61, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-(hydroxymethyl)-1-naphthalen-1-ylcyclopropane-1-carbonitrile is sourced from PubChem (CID 66781211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).