(4R)-4-methyl-6-[(E)-2-(2-methylphenyl)ethenyl]-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one

C19H20N2O — CID 121277647

IUPAC(4R)-4-methyl-6-[(E)-2-(2-methylphenyl)ethenyl]-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one
SMILESCc1ccccc1/C=C/c1cccc2c1N[C@H](C)CC(=O)N2
InChIInChI=1S/C19H20N2O/c1-13-6-3-4-7-15(13)10-11-16-8-5-9-17-19(16)20-14(2)12-18(22)21-17/h3-11,14,20H,12H2,1-2H3,(H,21,22)/b11-10+/t14-/m1/s1
InChIKeyZIWAMMPTLRZSAM-PLSXKVAHSA-N
MW292.38 g/mol
LogP4.31
Rot. Bonds2

About (4R)-4-methyl-6-[(E)-2-(2-methylphenyl)ethenyl]-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one

(4R)-4-methyl-6-[(E)-2-(2-methylphenyl)ethenyl]-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one (PubChem CID 121277647) has the molecular formula C19H20N2O and a molecular weight of 292.38 g/mol. Its IUPAC name is (4R)-4-methyl-6-[(E)-2-(2-methylphenyl)ethenyl]-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one.

Molecular Properties

Compound Name(4R)-4-methyl-6-[(E)-2-(2-methylphenyl)ethenyl]-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one
PubChem CID121277647
Molecular FormulaC19H20N2O
Molecular Weight292.38 g/mol
Exact Mass292.16
IUPAC Name(4R)-4-methyl-6-[(E)-2-(2-methylphenyl)ethenyl]-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one
SMILESCc1ccccc1/C=C/c1cccc2c1N[C@H](C)CC(=O)N2
InChIInChI=1S/C19H20N2O/c1-13-6-3-4-7-15(13)10-11-16-8-5-9-17-19(16)20-14(2)12-18(22)21-17/h3-11,14,20H,12H2,1-2H3,(H,21,22)/b11-10+/t14-/m1/s1
InChIKeyZIWAMMPTLRZSAM-PLSXKVAHSA-N
XLogP4.31
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-methyl-6-[(E)-2-(2-methylphenyl)ethenyl]-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one?
The IUPAC name of (4R)-4-methyl-6-[(E)-2-(2-methylphenyl)ethenyl]-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one (CID 121277647) is (4R)-4-methyl-6-[(E)-2-(2-methylphenyl)ethenyl]-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one.
What is the SMILES notation for (4R)-4-methyl-6-[(E)-2-(2-methylphenyl)ethenyl]-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one?
The canonical SMILES for (4R)-4-methyl-6-[(E)-2-(2-methylphenyl)ethenyl]-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one is Cc1ccccc1/C=C/c1cccc2c1N[C@H](C)CC(=O)N2.
What is the InChIKey of (4R)-4-methyl-6-[(E)-2-(2-methylphenyl)ethenyl]-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one?
The InChIKey is ZIWAMMPTLRZSAM-PLSXKVAHSA-N. The full InChI is InChI=1S/C19H20N2O/c1-13-6-3-4-7-15(13)10-11-16-8-5-9-17-19(16)20-14(2)12-18(22)21-17/h3-11,14,20H,12H2,1-2H3,(H,21,22)/b11-10+/t14-/m1/s1.
What are the key properties of (4R)-4-methyl-6-[(E)-2-(2-methylphenyl)ethenyl]-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one?
(4R)-4-methyl-6-[(E)-2-(2-methylphenyl)ethenyl]-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one has a molecular weight of 292.38 g/mol, XLogP of 4.31, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-methyl-6-[(E)-2-(2-methylphenyl)ethenyl]-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one is sourced from PubChem (CID 121277647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).