(1S,4S,5R)-2-methyl-4,6-diphenyl-2-azabicyclo[3.2.0]hept-6-en-3-one

C19H17NO — CID 11300330

IUPAC(1S,4S,5R)-2-methyl-4,6-diphenyl-2-azabicyclo[3.2.0]hept-6-en-3-one
SMILESCN1C(=O)[C@H](c2ccccc2)[C@@H]2C(c3ccccc3)=C[C@@H]21
InChIInChI=1S/C19H17NO/c1-20-16-12-15(13-8-4-2-5-9-13)18(16)17(19(20)21)14-10-6-3-7-11-14/h2-12,16-18H,1H3/t16-,17+,18+/m0/s1
InChIKeyVZHIUVDJJUMCNS-RCCFBDPRSA-N
MW275.35 g/mol
LogP3.32
Rot. Bonds2

About (1S,4S,5R)-2-methyl-4,6-diphenyl-2-azabicyclo[3.2.0]hept-6-en-3-one

(1S,4S,5R)-2-methyl-4,6-diphenyl-2-azabicyclo[3.2.0]hept-6-en-3-one (PubChem CID 11300330) has the molecular formula C19H17NO and a molecular weight of 275.35 g/mol. Its IUPAC name is (1S,4S,5R)-2-methyl-4,6-diphenyl-2-azabicyclo[3.2.0]hept-6-en-3-one.

Molecular Properties

Compound Name(1S,4S,5R)-2-methyl-4,6-diphenyl-2-azabicyclo[3.2.0]hept-6-en-3-one
PubChem CID11300330
Molecular FormulaC19H17NO
Molecular Weight275.35 g/mol
Exact Mass275.13
IUPAC Name(1S,4S,5R)-2-methyl-4,6-diphenyl-2-azabicyclo[3.2.0]hept-6-en-3-one
SMILESCN1C(=O)[C@H](c2ccccc2)[C@@H]2C(c3ccccc3)=C[C@@H]21
InChIInChI=1S/C19H17NO/c1-20-16-12-15(13-8-4-2-5-9-13)18(16)17(19(20)21)14-10-6-3-7-11-14/h2-12,16-18H,1H3/t16-,17+,18+/m0/s1
InChIKeyVZHIUVDJJUMCNS-RCCFBDPRSA-N
XLogP3.32
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1S,4S,5R)-2-methyl-4,6-diphenyl-2-azabicyclo[3.2.0]hept-6-en-3-one?
The IUPAC name of (1S,4S,5R)-2-methyl-4,6-diphenyl-2-azabicyclo[3.2.0]hept-6-en-3-one (CID 11300330) is (1S,4S,5R)-2-methyl-4,6-diphenyl-2-azabicyclo[3.2.0]hept-6-en-3-one.
What is the SMILES notation for (1S,4S,5R)-2-methyl-4,6-diphenyl-2-azabicyclo[3.2.0]hept-6-en-3-one?
The canonical SMILES for (1S,4S,5R)-2-methyl-4,6-diphenyl-2-azabicyclo[3.2.0]hept-6-en-3-one is CN1C(=O)[C@H](c2ccccc2)[C@@H]2C(c3ccccc3)=C[C@@H]21.
What is the InChIKey of (1S,4S,5R)-2-methyl-4,6-diphenyl-2-azabicyclo[3.2.0]hept-6-en-3-one?
The InChIKey is VZHIUVDJJUMCNS-RCCFBDPRSA-N. The full InChI is InChI=1S/C19H17NO/c1-20-16-12-15(13-8-4-2-5-9-13)18(16)17(19(20)21)14-10-6-3-7-11-14/h2-12,16-18H,1H3/t16-,17+,18+/m0/s1.
What are the key properties of (1S,4S,5R)-2-methyl-4,6-diphenyl-2-azabicyclo[3.2.0]hept-6-en-3-one?
(1S,4S,5R)-2-methyl-4,6-diphenyl-2-azabicyclo[3.2.0]hept-6-en-3-one has a molecular weight of 275.35 g/mol, XLogP of 3.32, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,4S,5R)-2-methyl-4,6-diphenyl-2-azabicyclo[3.2.0]hept-6-en-3-one is sourced from PubChem (CID 11300330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).