2-[(1R,6S)-7-bicyclo[4.1.0]heptanyl]-1-phenylethanone

C15H18O — CID 10921866

IUPAC2-[(1R,6S)-7-bicyclo[4.1.0]heptanyl]-1-phenylethanone
SMILESO=C(CC1[C@H]2CCCC[C@@H]12)c1ccccc1
InChIInChI=1S/C15H18O/c16-15(11-6-2-1-3-7-11)10-14-12-8-4-5-9-13(12)14/h1-3,6-7,12-14H,4-5,8-10H2/t12-,13+,14?
InChIKeyUCEKADGFUYVUMW-PBWFPOADSA-N
MW214.31 g/mol
LogP3.70
Rot. Bonds3

About 2-[(1R,6S)-7-bicyclo[4.1.0]heptanyl]-1-phenylethanone

2-[(1R,6S)-7-bicyclo[4.1.0]heptanyl]-1-phenylethanone (PubChem CID 10921866) has the molecular formula C15H18O and a molecular weight of 214.31 g/mol. Its IUPAC name is 2-[(1R,6S)-7-bicyclo[4.1.0]heptanyl]-1-phenylethanone.

Molecular Properties

Compound Name2-[(1R,6S)-7-bicyclo[4.1.0]heptanyl]-1-phenylethanone
PubChem CID10921866
Molecular FormulaC15H18O
Molecular Weight214.31 g/mol
Exact Mass214.14
IUPAC Name2-[(1R,6S)-7-bicyclo[4.1.0]heptanyl]-1-phenylethanone
SMILESO=C(CC1[C@H]2CCCC[C@@H]12)c1ccccc1
InChIInChI=1S/C15H18O/c16-15(11-6-2-1-3-7-11)10-14-12-8-4-5-9-13(12)14/h1-3,6-7,12-14H,4-5,8-10H2/t12-,13+,14?
InChIKeyUCEKADGFUYVUMW-PBWFPOADSA-N
XLogP3.70
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[(1R,6S)-7-bicyclo[4.1.0]heptanyl]-1-phenylethanone?
The IUPAC name of 2-[(1R,6S)-7-bicyclo[4.1.0]heptanyl]-1-phenylethanone (CID 10921866) is 2-[(1R,6S)-7-bicyclo[4.1.0]heptanyl]-1-phenylethanone.
What is the SMILES notation for 2-[(1R,6S)-7-bicyclo[4.1.0]heptanyl]-1-phenylethanone?
The canonical SMILES for 2-[(1R,6S)-7-bicyclo[4.1.0]heptanyl]-1-phenylethanone is O=C(CC1[C@H]2CCCC[C@@H]12)c1ccccc1.
What is the InChIKey of 2-[(1R,6S)-7-bicyclo[4.1.0]heptanyl]-1-phenylethanone?
The InChIKey is UCEKADGFUYVUMW-PBWFPOADSA-N. The full InChI is InChI=1S/C15H18O/c16-15(11-6-2-1-3-7-11)10-14-12-8-4-5-9-13(12)14/h1-3,6-7,12-14H,4-5,8-10H2/t12-,13+,14?.
What are the key properties of 2-[(1R,6S)-7-bicyclo[4.1.0]heptanyl]-1-phenylethanone?
2-[(1R,6S)-7-bicyclo[4.1.0]heptanyl]-1-phenylethanone has a molecular weight of 214.31 g/mol, XLogP of 3.70, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R,6S)-7-bicyclo[4.1.0]heptanyl]-1-phenylethanone is sourced from PubChem (CID 10921866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).