(2S)-2-(1-ethenylnaphthalen-2-yl)cyclobutan-1-one

C16H14O — CID 10585135

IUPAC(2S)-2-(1-ethenylnaphthalen-2-yl)cyclobutan-1-one
SMILESC=Cc1c([C@@H]2CCC2=O)ccc2ccccc12
InChIInChI=1S/C16H14O/c1-2-12-13-6-4-3-5-11(13)7-8-14(12)15-9-10-16(15)17/h2-8,15H,1,9-10H2/t15-/m0/s1
InChIKeyIWUAVRDFWDWXMY-HNNXBMFYSA-N
MW222.29 g/mol
LogP3.93
Rot. Bonds2

About (2S)-2-(1-ethenylnaphthalen-2-yl)cyclobutan-1-one

(2S)-2-(1-ethenylnaphthalen-2-yl)cyclobutan-1-one (PubChem CID 10585135) has the molecular formula C16H14O and a molecular weight of 222.29 g/mol. Its IUPAC name is (2S)-2-(1-ethenylnaphthalen-2-yl)cyclobutan-1-one.

Molecular Properties

Compound Name(2S)-2-(1-ethenylnaphthalen-2-yl)cyclobutan-1-one
PubChem CID10585135
Molecular FormulaC16H14O
Molecular Weight222.29 g/mol
Exact Mass222.10
IUPAC Name(2S)-2-(1-ethenylnaphthalen-2-yl)cyclobutan-1-one
SMILESC=Cc1c([C@@H]2CCC2=O)ccc2ccccc12
InChIInChI=1S/C16H14O/c1-2-12-13-6-4-3-5-11(13)7-8-14(12)15-9-10-16(15)17/h2-8,15H,1,9-10H2/t15-/m0/s1
InChIKeyIWUAVRDFWDWXMY-HNNXBMFYSA-N
XLogP3.93
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(1-ethenylnaphthalen-2-yl)cyclobutan-1-one?
The IUPAC name of (2S)-2-(1-ethenylnaphthalen-2-yl)cyclobutan-1-one (CID 10585135) is (2S)-2-(1-ethenylnaphthalen-2-yl)cyclobutan-1-one.
What is the SMILES notation for (2S)-2-(1-ethenylnaphthalen-2-yl)cyclobutan-1-one?
The canonical SMILES for (2S)-2-(1-ethenylnaphthalen-2-yl)cyclobutan-1-one is C=Cc1c([C@@H]2CCC2=O)ccc2ccccc12.
What is the InChIKey of (2S)-2-(1-ethenylnaphthalen-2-yl)cyclobutan-1-one?
The InChIKey is IWUAVRDFWDWXMY-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H14O/c1-2-12-13-6-4-3-5-11(13)7-8-14(12)15-9-10-16(15)17/h2-8,15H,1,9-10H2/t15-/m0/s1.
What are the key properties of (2S)-2-(1-ethenylnaphthalen-2-yl)cyclobutan-1-one?
(2S)-2-(1-ethenylnaphthalen-2-yl)cyclobutan-1-one has a molecular weight of 222.29 g/mol, XLogP of 3.93, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(1-ethenylnaphthalen-2-yl)cyclobutan-1-one is sourced from PubChem (CID 10585135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).