cis-(1R,2S)-2-(hydroxymethyl)-1-naphthalen-2-ylcyclopropane-1-carbonitrile

C15H13NO — CID 59683689

IUPACcis-(1R,2S)-2-(hydroxymethyl)-1-naphthalen-2-ylcyclopropane-1-carbonitrile
SMILESN#C[C@]1(c2ccc3ccccc3c2)C[C@@H]1CO
InChIInChI=1S/C15H13NO/c16-10-15(8-14(15)9-17)13-6-5-11-3-1-2-4-12(11)7-13/h1-7,14,17H,8-9H2/t14-,15+/m1/s1
InChIKeyYAOFZMVNNNMQQK-CABCVRRESA-N
MW223.28 g/mol
LogP2.61
Rot. Bonds2

About cis-(1R,2S)-2-(hydroxymethyl)-1-naphthalen-2-ylcyclopropane-1-carbonitrile

cis-(1R,2S)-2-(hydroxymethyl)-1-naphthalen-2-ylcyclopropane-1-carbonitrile (PubChem CID 59683689) has the molecular formula C15H13NO and a molecular weight of 223.28 g/mol. Its IUPAC name is cis-(1R,2S)-2-(hydroxymethyl)-1-naphthalen-2-ylcyclopropane-1-carbonitrile.

Molecular Properties

Compound Namecis-(1R,2S)-2-(hydroxymethyl)-1-naphthalen-2-ylcyclopropane-1-carbonitrile
PubChem CID59683689
Molecular FormulaC15H13NO
Molecular Weight223.28 g/mol
Exact Mass223.10
IUPAC Namecis-(1R,2S)-2-(hydroxymethyl)-1-naphthalen-2-ylcyclopropane-1-carbonitrile
SMILESN#C[C@]1(c2ccc3ccccc3c2)C[C@@H]1CO
InChIInChI=1S/C15H13NO/c16-10-15(8-14(15)9-17)13-6-5-11-3-1-2-4-12(11)7-13/h1-7,14,17H,8-9H2/t14-,15+/m1/s1
InChIKeyYAOFZMVNNNMQQK-CABCVRRESA-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 cis-(1R,2S)-2-(hydroxymethyl)-1-naphthalen-2-ylcyclopropane-1-carbonitrile?
The IUPAC name of cis-(1R,2S)-2-(hydroxymethyl)-1-naphthalen-2-ylcyclopropane-1-carbonitrile (CID 59683689) is cis-(1R,2S)-2-(hydroxymethyl)-1-naphthalen-2-ylcyclopropane-1-carbonitrile.
What is the SMILES notation for cis-(1R,2S)-2-(hydroxymethyl)-1-naphthalen-2-ylcyclopropane-1-carbonitrile?
The canonical SMILES for cis-(1R,2S)-2-(hydroxymethyl)-1-naphthalen-2-ylcyclopropane-1-carbonitrile is N#C[C@]1(c2ccc3ccccc3c2)C[C@@H]1CO.
What is the InChIKey of cis-(1R,2S)-2-(hydroxymethyl)-1-naphthalen-2-ylcyclopropane-1-carbonitrile?
The InChIKey is YAOFZMVNNNMQQK-CABCVRRESA-N. The full InChI is InChI=1S/C15H13NO/c16-10-15(8-14(15)9-17)13-6-5-11-3-1-2-4-12(11)7-13/h1-7,14,17H,8-9H2/t14-,15+/m1/s1.
What are the key properties of cis-(1R,2S)-2-(hydroxymethyl)-1-naphthalen-2-ylcyclopropane-1-carbonitrile?
cis-(1R,2S)-2-(hydroxymethyl)-1-naphthalen-2-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 cis-(1R,2S)-2-(hydroxymethyl)-1-naphthalen-2-ylcyclopropane-1-carbonitrile is sourced from PubChem (CID 59683689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).