(1R)-1-naphthalen-1-ylbicyclo[3.1.0]hexan-3-one

C16H14O — CID 59779111

IUPAC(1R)-1-naphthalen-1-ylbicyclo[3.1.0]hexan-3-one
SMILESO=C1CC2C[C@@]2(c2cccc3ccccc23)C1
InChIInChI=1S/C16H14O/c17-13-8-12-9-16(12,10-13)15-7-3-5-11-4-1-2-6-14(11)15/h1-7,12H,8-10H2/t12?,16-/m1/s1
InChIKeyOUJQDSQBMNUWSJ-PVQCJRHBSA-N
MW222.29 g/mol
LogP3.46
Rot. Bonds1

About (1R)-1-naphthalen-1-ylbicyclo[3.1.0]hexan-3-one

(1R)-1-naphthalen-1-ylbicyclo[3.1.0]hexan-3-one (PubChem CID 59779111) has the molecular formula C16H14O and a molecular weight of 222.29 g/mol. Its IUPAC name is (1R)-1-naphthalen-1-ylbicyclo[3.1.0]hexan-3-one.

Molecular Properties

Compound Name(1R)-1-naphthalen-1-ylbicyclo[3.1.0]hexan-3-one
PubChem CID59779111
Molecular FormulaC16H14O
Molecular Weight222.29 g/mol
Exact Mass222.10
IUPAC Name(1R)-1-naphthalen-1-ylbicyclo[3.1.0]hexan-3-one
SMILESO=C1CC2C[C@@]2(c2cccc3ccccc23)C1
InChIInChI=1S/C16H14O/c17-13-8-12-9-16(12,10-13)15-7-3-5-11-4-1-2-6-14(11)15/h1-7,12H,8-10H2/t12?,16-/m1/s1
InChIKeyOUJQDSQBMNUWSJ-PVQCJRHBSA-N
XLogP3.46
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-naphthalen-1-ylbicyclo[3.1.0]hexan-3-one?
The IUPAC name of (1R)-1-naphthalen-1-ylbicyclo[3.1.0]hexan-3-one (CID 59779111) is (1R)-1-naphthalen-1-ylbicyclo[3.1.0]hexan-3-one.
What is the SMILES notation for (1R)-1-naphthalen-1-ylbicyclo[3.1.0]hexan-3-one?
The canonical SMILES for (1R)-1-naphthalen-1-ylbicyclo[3.1.0]hexan-3-one is O=C1CC2C[C@@]2(c2cccc3ccccc23)C1.
What is the InChIKey of (1R)-1-naphthalen-1-ylbicyclo[3.1.0]hexan-3-one?
The InChIKey is OUJQDSQBMNUWSJ-PVQCJRHBSA-N. The full InChI is InChI=1S/C16H14O/c17-13-8-12-9-16(12,10-13)15-7-3-5-11-4-1-2-6-14(11)15/h1-7,12H,8-10H2/t12?,16-/m1/s1.
What are the key properties of (1R)-1-naphthalen-1-ylbicyclo[3.1.0]hexan-3-one?
(1R)-1-naphthalen-1-ylbicyclo[3.1.0]hexan-3-one has a molecular weight of 222.29 g/mol, XLogP of 3.46, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-naphthalen-1-ylbicyclo[3.1.0]hexan-3-one is sourced from PubChem (CID 59779111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).