2-(3-naphthalen-2-yloxetan-3-yl)butanenitrile

C17H17NO — CID 116875543

IUPAC2-(3-naphthalen-2-yloxetan-3-yl)butanenitrile
SMILESCCC(C#N)C1(c2ccc3ccccc3c2)COC1
InChIInChI=1S/C17H17NO/c1-2-15(10-18)17(11-19-12-17)16-8-7-13-5-3-4-6-14(13)9-16/h3-9,15H,2,11-12H2,1H3
InChIKeyXNBGFEAZDYEZHG-UHFFFAOYSA-N
MW251.33 g/mol
LogP3.66
Rot. Bonds3

About 2-(3-naphthalen-2-yloxetan-3-yl)butanenitrile

2-(3-naphthalen-2-yloxetan-3-yl)butanenitrile (PubChem CID 116875543) has the molecular formula C17H17NO and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-(3-naphthalen-2-yloxetan-3-yl)butanenitrile.

Molecular Properties

Compound Name2-(3-naphthalen-2-yloxetan-3-yl)butanenitrile
PubChem CID116875543
Molecular FormulaC17H17NO
Molecular Weight251.33 g/mol
Exact Mass251.13
IUPAC Name2-(3-naphthalen-2-yloxetan-3-yl)butanenitrile
SMILESCCC(C#N)C1(c2ccc3ccccc3c2)COC1
InChIInChI=1S/C17H17NO/c1-2-15(10-18)17(11-19-12-17)16-8-7-13-5-3-4-6-14(13)9-16/h3-9,15H,2,11-12H2,1H3
InChIKeyXNBGFEAZDYEZHG-UHFFFAOYSA-N
XLogP3.66
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-1-(3-naphthalen-2-yloxetan-3-yl)ethanol
CID 116874541
2-[3-(2-methyl-1H-indol-3-yl)oxetan-3-yl]butanenitrile
CID 116875505
N-[(3-naphthalen-2-yloxetan-3-yl)methyl]ethanamine
CID 116870558
1-(1-naphthalen-2-ylcyclohexyl)propan-1-amine
CID 91217269
ethyl 3-naphthalen-2-yloxetane-3-carboxylate
CID 116875843
3-(2-chloroethyl)-3-naphthalen-2-yloxetane
CID 116871549
3-naphthalen-2-yloxolan-3-ol
CID 63331722
1-(1-naphthalen-2-ylcyclohexyl)ethanamine
CID 24860835
1-[3-(6-methoxynaphthalen-2-yl)oxetan-3-yl]ethanamine
CID 116869429
2-naphthalen-2-yl-2-prop-2-ynyloxirane
CID 56954046
N-methyl-1-(1-naphthalen-2-ylcyclobutyl)ethanamine;hydrochloride
CID 23292615
3-methyl-3-naphthalen-2-yloxirane-2-carbonitrile
CID 165444822

Frequently Asked Questions

What is the IUPAC name of 2-(3-naphthalen-2-yloxetan-3-yl)butanenitrile?
The IUPAC name of 2-(3-naphthalen-2-yloxetan-3-yl)butanenitrile (CID 116875543) is 2-(3-naphthalen-2-yloxetan-3-yl)butanenitrile.
What is the SMILES notation for 2-(3-naphthalen-2-yloxetan-3-yl)butanenitrile?
The canonical SMILES for 2-(3-naphthalen-2-yloxetan-3-yl)butanenitrile is CCC(C#N)C1(c2ccc3ccccc3c2)COC1.
What is the InChIKey of 2-(3-naphthalen-2-yloxetan-3-yl)butanenitrile?
The InChIKey is XNBGFEAZDYEZHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO/c1-2-15(10-18)17(11-19-12-17)16-8-7-13-5-3-4-6-14(13)9-16/h3-9,15H,2,11-12H2,1H3.
What are the key properties of 2-(3-naphthalen-2-yloxetan-3-yl)butanenitrile?
2-(3-naphthalen-2-yloxetan-3-yl)butanenitrile has a molecular weight of 251.33 g/mol, XLogP of 3.66, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-naphthalen-2-yloxetan-3-yl)butanenitrile is sourced from PubChem (CID 116875543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).