(3S)-3-naphthalen-1-ylcycloheptan-1-one

C17H18O — CID 101392691

IUPAC(3S)-3-naphthalen-1-ylcycloheptan-1-one
SMILESO=C1CCCC[C@H](c2cccc3ccccc23)C1
InChIInChI=1S/C17H18O/c18-15-9-3-1-7-14(12-15)17-11-5-8-13-6-2-4-10-16(13)17/h2,4-6,8,10-11,14H,1,3,7,9,12H2/t14-/m0/s1
InChIKeyFRADGHFIQQOXJG-AWEZNQCLSA-N
MW238.33 g/mol
LogP4.46
Rot. Bonds1

About (3S)-3-naphthalen-1-ylcycloheptan-1-one

(3S)-3-naphthalen-1-ylcycloheptan-1-one (PubChem CID 101392691) has the molecular formula C17H18O and a molecular weight of 238.33 g/mol. Its IUPAC name is (3S)-3-naphthalen-1-ylcycloheptan-1-one.

Molecular Properties

Compound Name(3S)-3-naphthalen-1-ylcycloheptan-1-one
PubChem CID101392691
Molecular FormulaC17H18O
Molecular Weight238.33 g/mol
Exact Mass238.14
IUPAC Name(3S)-3-naphthalen-1-ylcycloheptan-1-one
SMILESO=C1CCCC[C@H](c2cccc3ccccc23)C1
InChIInChI=1S/C17H18O/c18-15-9-3-1-7-14(12-15)17-11-5-8-13-6-2-4-10-16(13)17/h2,4-6,8,10-11,14H,1,3,7,9,12H2/t14-/m0/s1
InChIKeyFRADGHFIQQOXJG-AWEZNQCLSA-N
XLogP4.46
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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3-[2-(3-aminopropyl)phenyl]cyclohexan-1-one
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(3R)-3-phenylcyclohexan-1-one
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Frequently Asked Questions

What is the IUPAC name of (3S)-3-naphthalen-1-ylcycloheptan-1-one?
The IUPAC name of (3S)-3-naphthalen-1-ylcycloheptan-1-one (CID 101392691) is (3S)-3-naphthalen-1-ylcycloheptan-1-one.
What is the SMILES notation for (3S)-3-naphthalen-1-ylcycloheptan-1-one?
The canonical SMILES for (3S)-3-naphthalen-1-ylcycloheptan-1-one is O=C1CCCC[C@H](c2cccc3ccccc23)C1.
What is the InChIKey of (3S)-3-naphthalen-1-ylcycloheptan-1-one?
The InChIKey is FRADGHFIQQOXJG-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H18O/c18-15-9-3-1-7-14(12-15)17-11-5-8-13-6-2-4-10-16(13)17/h2,4-6,8,10-11,14H,1,3,7,9,12H2/t14-/m0/s1.
What are the key properties of (3S)-3-naphthalen-1-ylcycloheptan-1-one?
(3S)-3-naphthalen-1-ylcycloheptan-1-one has a molecular weight of 238.33 g/mol, XLogP of 4.46, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-naphthalen-1-ylcycloheptan-1-one is sourced from PubChem (CID 101392691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).