(2R,3S)-5-methoxy-2,3-diphenyl-1,2,3,6-tetrahydroazepin-7-one

C19H19NO2 — CID 10493954

IUPAC(2R,3S)-5-methoxy-2,3-diphenyl-1,2,3,6-tetrahydroazepin-7-one
SMILESCOC1=C[C@@H](c2ccccc2)[C@H](c2ccccc2)NC(=O)C1
InChIInChI=1S/C19H19NO2/c1-22-16-12-17(14-8-4-2-5-9-14)19(20-18(21)13-16)15-10-6-3-7-11-15/h2-12,17,19H,13H2,1H3,(H,20,21)/t17-,19-/m0/s1
InChIKeyAPCXOUPCKVOBGV-HKUYNNGSSA-N
MW293.37 g/mol
LogP3.56
Rot. Bonds3

About (2R,3S)-5-methoxy-2,3-diphenyl-1,2,3,6-tetrahydroazepin-7-one

(2R,3S)-5-methoxy-2,3-diphenyl-1,2,3,6-tetrahydroazepin-7-one (PubChem CID 10493954) has the molecular formula C19H19NO2 and a molecular weight of 293.37 g/mol. Its IUPAC name is (2R,3S)-5-methoxy-2,3-diphenyl-1,2,3,6-tetrahydroazepin-7-one.

Molecular Properties

Compound Name(2R,3S)-5-methoxy-2,3-diphenyl-1,2,3,6-tetrahydroazepin-7-one
PubChem CID10493954
Molecular FormulaC19H19NO2
Molecular Weight293.37 g/mol
Exact Mass293.14
IUPAC Name(2R,3S)-5-methoxy-2,3-diphenyl-1,2,3,6-tetrahydroazepin-7-one
SMILESCOC1=C[C@@H](c2ccccc2)[C@H](c2ccccc2)NC(=O)C1
InChIInChI=1S/C19H19NO2/c1-22-16-12-17(14-8-4-2-5-9-14)19(20-18(21)13-16)15-10-6-3-7-11-15/h2-12,17,19H,13H2,1H3,(H,20,21)/t17-,19-/m0/s1
InChIKeyAPCXOUPCKVOBGV-HKUYNNGSSA-N
XLogP3.56
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R,3S)-5-methoxy-2,3-diphenyl-1,2,3,6-tetrahydroazepin-7-one?
The IUPAC name of (2R,3S)-5-methoxy-2,3-diphenyl-1,2,3,6-tetrahydroazepin-7-one (CID 10493954) is (2R,3S)-5-methoxy-2,3-diphenyl-1,2,3,6-tetrahydroazepin-7-one.
What is the SMILES notation for (2R,3S)-5-methoxy-2,3-diphenyl-1,2,3,6-tetrahydroazepin-7-one?
The canonical SMILES for (2R,3S)-5-methoxy-2,3-diphenyl-1,2,3,6-tetrahydroazepin-7-one is COC1=C[C@@H](c2ccccc2)[C@H](c2ccccc2)NC(=O)C1.
What is the InChIKey of (2R,3S)-5-methoxy-2,3-diphenyl-1,2,3,6-tetrahydroazepin-7-one?
The InChIKey is APCXOUPCKVOBGV-HKUYNNGSSA-N. The full InChI is InChI=1S/C19H19NO2/c1-22-16-12-17(14-8-4-2-5-9-14)19(20-18(21)13-16)15-10-6-3-7-11-15/h2-12,17,19H,13H2,1H3,(H,20,21)/t17-,19-/m0/s1.
What are the key properties of (2R,3S)-5-methoxy-2,3-diphenyl-1,2,3,6-tetrahydroazepin-7-one?
(2R,3S)-5-methoxy-2,3-diphenyl-1,2,3,6-tetrahydroazepin-7-one has a molecular weight of 293.37 g/mol, XLogP of 3.56, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-5-methoxy-2,3-diphenyl-1,2,3,6-tetrahydroazepin-7-one is sourced from PubChem (CID 10493954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).