(1S,6R)-bicyclo[4.1.0]heptan-2-one

C7H10O — CID 10920468

IUPAC(1S,6R)-bicyclo[4.1.0]heptan-2-one
SMILESO=C1CCC[C@@H]2C[C@H]12
InChIInChI=1S/C7H10O/c8-7-3-1-2-5-4-6(5)7/h5-6H,1-4H2/t5-,6+/m1/s1
InChIKeyCINFRRXNDRBHMD-RITPCOANSA-N
MW110.16 g/mol
LogP1.38
Rot. Bonds

About (1S,6R)-bicyclo[4.1.0]heptan-2-one

(1S,6R)-bicyclo[4.1.0]heptan-2-one (PubChem CID 10920468) has the molecular formula C7H10O and a molecular weight of 110.16 g/mol. Its IUPAC name is (1S,6R)-bicyclo[4.1.0]heptan-2-one.

Molecular Properties

Compound Name(1S,6R)-bicyclo[4.1.0]heptan-2-one
PubChem CID10920468
Molecular FormulaC7H10O
Molecular Weight110.16 g/mol
Exact Mass110.07
IUPAC Name(1S,6R)-bicyclo[4.1.0]heptan-2-one
SMILESO=C1CCC[C@@H]2C[C@H]12
InChIInChI=1S/C7H10O/c8-7-3-1-2-5-4-6(5)7/h5-6H,1-4H2/t5-,6+/m1/s1
InChIKeyCINFRRXNDRBHMD-RITPCOANSA-N
XLogP1.38
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.16
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1S,6R)-bicyclo[4.1.0]heptan-2-one?
The IUPAC name of (1S,6R)-bicyclo[4.1.0]heptan-2-one (CID 10920468) is (1S,6R)-bicyclo[4.1.0]heptan-2-one.
What is the SMILES notation for (1S,6R)-bicyclo[4.1.0]heptan-2-one?
The canonical SMILES for (1S,6R)-bicyclo[4.1.0]heptan-2-one is O=C1CCC[C@@H]2C[C@H]12.
What is the InChIKey of (1S,6R)-bicyclo[4.1.0]heptan-2-one?
The InChIKey is CINFRRXNDRBHMD-RITPCOANSA-N. The full InChI is InChI=1S/C7H10O/c8-7-3-1-2-5-4-6(5)7/h5-6H,1-4H2/t5-,6+/m1/s1.
What are the key properties of (1S,6R)-bicyclo[4.1.0]heptan-2-one?
(1S,6R)-bicyclo[4.1.0]heptan-2-one has a molecular weight of 110.16 g/mol, XLogP of 1.38, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,6R)-bicyclo[4.1.0]heptan-2-one is sourced from PubChem (CID 10920468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).