(1S,5R,7R)-5-(dimethylamino)-7-phenylbicyclo[3.2.0]hept-2-en-6-one

C15H17NO — CID 14869423

IUPAC(1S,5R,7R)-5-(dimethylamino)-7-phenylbicyclo[3.2.0]hept-2-en-6-one
SMILESCN(C)[C@]12CC=C[C@H]1[C@H](c1ccccc1)C2=O
InChIInChI=1S/C15H17NO/c1-16(2)15-10-6-9-12(15)13(14(15)17)11-7-4-3-5-8-11/h3-9,12-13H,10H2,1-2H3/t12-,13-,15+/m0/s1
InChIKeyYVBCAWJXZHSYRG-KCQAQPDRSA-N
MW227.31 g/mol
LogP2.23
Rot. Bonds2

About (1S,5R,7R)-5-(dimethylamino)-7-phenylbicyclo[3.2.0]hept-2-en-6-one

(1S,5R,7R)-5-(dimethylamino)-7-phenylbicyclo[3.2.0]hept-2-en-6-one (PubChem CID 14869423) has the molecular formula C15H17NO and a molecular weight of 227.31 g/mol. Its IUPAC name is (1S,5R,7R)-5-(dimethylamino)-7-phenylbicyclo[3.2.0]hept-2-en-6-one.

Molecular Properties

Compound Name(1S,5R,7R)-5-(dimethylamino)-7-phenylbicyclo[3.2.0]hept-2-en-6-one
PubChem CID14869423
Molecular FormulaC15H17NO
Molecular Weight227.31 g/mol
Exact Mass227.13
IUPAC Name(1S,5R,7R)-5-(dimethylamino)-7-phenylbicyclo[3.2.0]hept-2-en-6-one
SMILESCN(C)[C@]12CC=C[C@H]1[C@H](c1ccccc1)C2=O
InChIInChI=1S/C15H17NO/c1-16(2)15-10-6-9-12(15)13(14(15)17)11-7-4-3-5-8-11/h3-9,12-13H,10H2,1-2H3/t12-,13-,15+/m0/s1
InChIKeyYVBCAWJXZHSYRG-KCQAQPDRSA-N
XLogP2.23
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1S,5R,7R)-5-(dimethylamino)-7-phenylbicyclo[3.2.0]hept-2-en-6-one?
The IUPAC name of (1S,5R,7R)-5-(dimethylamino)-7-phenylbicyclo[3.2.0]hept-2-en-6-one (CID 14869423) is (1S,5R,7R)-5-(dimethylamino)-7-phenylbicyclo[3.2.0]hept-2-en-6-one.
What is the SMILES notation for (1S,5R,7R)-5-(dimethylamino)-7-phenylbicyclo[3.2.0]hept-2-en-6-one?
The canonical SMILES for (1S,5R,7R)-5-(dimethylamino)-7-phenylbicyclo[3.2.0]hept-2-en-6-one is CN(C)[C@]12CC=C[C@H]1[C@H](c1ccccc1)C2=O.
What is the InChIKey of (1S,5R,7R)-5-(dimethylamino)-7-phenylbicyclo[3.2.0]hept-2-en-6-one?
The InChIKey is YVBCAWJXZHSYRG-KCQAQPDRSA-N. The full InChI is InChI=1S/C15H17NO/c1-16(2)15-10-6-9-12(15)13(14(15)17)11-7-4-3-5-8-11/h3-9,12-13H,10H2,1-2H3/t12-,13-,15+/m0/s1.
What are the key properties of (1S,5R,7R)-5-(dimethylamino)-7-phenylbicyclo[3.2.0]hept-2-en-6-one?
(1S,5R,7R)-5-(dimethylamino)-7-phenylbicyclo[3.2.0]hept-2-en-6-one has a molecular weight of 227.31 g/mol, XLogP of 2.23, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5R,7R)-5-(dimethylamino)-7-phenylbicyclo[3.2.0]hept-2-en-6-one is sourced from PubChem (CID 14869423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).