(4S)-4-(2-methoxyphenyl)-5-phenyl-1,2,3,4-tetrahydroazepin-7-one

C19H19NO2 — CID 124565893

IUPAC(4S)-4-(2-methoxyphenyl)-5-phenyl-1,2,3,4-tetrahydroazepin-7-one
SMILESCOc1ccccc1[C@H]1CCNC(=O)C=C1c1ccccc1
InChIInChI=1S/C19H19NO2/c1-22-18-10-6-5-9-16(18)15-11-12-20-19(21)13-17(15)14-7-3-2-4-8-14/h2-10,13,15H,11-12H2,1H3,(H,20,21)/t15-/m1/s1
InChIKeyLANNLNPPEKPLOI-OAHLLOKOSA-N
MW293.37 g/mol
LogP3.38
Rot. Bonds3

About (4S)-4-(2-methoxyphenyl)-5-phenyl-1,2,3,4-tetrahydroazepin-7-one

(4S)-4-(2-methoxyphenyl)-5-phenyl-1,2,3,4-tetrahydroazepin-7-one (PubChem CID 124565893) has the molecular formula C19H19NO2 and a molecular weight of 293.37 g/mol. Its IUPAC name is (4S)-4-(2-methoxyphenyl)-5-phenyl-1,2,3,4-tetrahydroazepin-7-one.

Molecular Properties

Compound Name(4S)-4-(2-methoxyphenyl)-5-phenyl-1,2,3,4-tetrahydroazepin-7-one
PubChem CID124565893
Molecular FormulaC19H19NO2
Molecular Weight293.37 g/mol
Exact Mass293.14
IUPAC Name(4S)-4-(2-methoxyphenyl)-5-phenyl-1,2,3,4-tetrahydroazepin-7-one
SMILESCOc1ccccc1[C@H]1CCNC(=O)C=C1c1ccccc1
InChIInChI=1S/C19H19NO2/c1-22-18-10-6-5-9-16(18)15-11-12-20-19(21)13-17(15)14-7-3-2-4-8-14/h2-10,13,15H,11-12H2,1H3,(H,20,21)/t15-/m1/s1
InChIKeyLANNLNPPEKPLOI-OAHLLOKOSA-N
XLogP3.38
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 ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-(2-methoxyphenyl)-5-phenyl-1,2,3,4-tetrahydroazepin-7-one?
The IUPAC name of (4S)-4-(2-methoxyphenyl)-5-phenyl-1,2,3,4-tetrahydroazepin-7-one (CID 124565893) is (4S)-4-(2-methoxyphenyl)-5-phenyl-1,2,3,4-tetrahydroazepin-7-one.
What is the SMILES notation for (4S)-4-(2-methoxyphenyl)-5-phenyl-1,2,3,4-tetrahydroazepin-7-one?
The canonical SMILES for (4S)-4-(2-methoxyphenyl)-5-phenyl-1,2,3,4-tetrahydroazepin-7-one is COc1ccccc1[C@H]1CCNC(=O)C=C1c1ccccc1.
What is the InChIKey of (4S)-4-(2-methoxyphenyl)-5-phenyl-1,2,3,4-tetrahydroazepin-7-one?
The InChIKey is LANNLNPPEKPLOI-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H19NO2/c1-22-18-10-6-5-9-16(18)15-11-12-20-19(21)13-17(15)14-7-3-2-4-8-14/h2-10,13,15H,11-12H2,1H3,(H,20,21)/t15-/m1/s1.
What are the key properties of (4S)-4-(2-methoxyphenyl)-5-phenyl-1,2,3,4-tetrahydroazepin-7-one?
(4S)-4-(2-methoxyphenyl)-5-phenyl-1,2,3,4-tetrahydroazepin-7-one has a molecular weight of 293.37 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(2-methoxyphenyl)-5-phenyl-1,2,3,4-tetrahydroazepin-7-one is sourced from PubChem (CID 124565893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).