(3S)-3-methyl-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione

C10H10N2O2 — CID 11435429

IUPAC(3S)-3-methyl-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione
SMILESC[C@@H]1NC(=O)c2ccccc2NC1=O
InChIInChI=1S/C10H10N2O2/c1-6-9(13)12-8-5-3-2-4-7(8)10(14)11-6/h2-6H,1H3,(H,11,14)(H,12,13)/t6-/m0/s1
InChIKeyLJONQULKOKMKBR-LURJTMIESA-N
MW190.20 g/mol
LogP0.76
Rot. Bonds

About (3S)-3-methyl-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione

(3S)-3-methyl-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione (PubChem CID 11435429) has the molecular formula C10H10N2O2 and a molecular weight of 190.20 g/mol. Its IUPAC name is (3S)-3-methyl-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione.

Molecular Properties

Compound Name(3S)-3-methyl-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione
PubChem CID11435429
Molecular FormulaC10H10N2O2
Molecular Weight190.20 g/mol
Exact Mass190.07
IUPAC Name(3S)-3-methyl-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione
SMILESC[C@@H]1NC(=O)c2ccccc2NC1=O
InChIInChI=1S/C10H10N2O2/c1-6-9(13)12-8-5-3-2-4-7(8)10(14)11-6/h2-6H,1H3,(H,11,14)(H,12,13)/t6-/m0/s1
InChIKeyLJONQULKOKMKBR-LURJTMIESA-N
XLogP0.76
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.20
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-methyl-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione?
The IUPAC name of (3S)-3-methyl-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione (CID 11435429) is (3S)-3-methyl-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione.
What is the SMILES notation for (3S)-3-methyl-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione?
The canonical SMILES for (3S)-3-methyl-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione is C[C@@H]1NC(=O)c2ccccc2NC1=O.
What is the InChIKey of (3S)-3-methyl-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione?
The InChIKey is LJONQULKOKMKBR-LURJTMIESA-N. The full InChI is InChI=1S/C10H10N2O2/c1-6-9(13)12-8-5-3-2-4-7(8)10(14)11-6/h2-6H,1H3,(H,11,14)(H,12,13)/t6-/m0/s1.
What are the key properties of (3S)-3-methyl-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione?
(3S)-3-methyl-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione has a molecular weight of 190.20 g/mol, XLogP of 0.76, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-methyl-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione is sourced from PubChem (CID 11435429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).