4-propylspiro[1,5-dihydro-1,4-benzodiazepine-3,3'-pyrrolidine]-2-one

C15H21N3O — CID 118740559

IUPAC4-propylspiro[1,5-dihydro-1,4-benzodiazepine-3,3'-pyrrolidine]-2-one
SMILESCCCN1Cc2ccccc2NC(=O)C12CCNC2
InChIInChI=1S/C15H21N3O/c1-2-9-18-10-12-5-3-4-6-13(12)17-14(19)15(18)7-8-16-11-15/h3-6,16H,2,7-11H2,1H3,(H,17,19)
InChIKeyNJZJKTNRZMEPJK-UHFFFAOYSA-N
MW259.35 g/mol
LogP1.58
Rot. Bonds2

About 4-propylspiro[1,5-dihydro-1,4-benzodiazepine-3,3'-pyrrolidine]-2-one

4-propylspiro[1,5-dihydro-1,4-benzodiazepine-3,3'-pyrrolidine]-2-one (PubChem CID 118740559) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 4-propylspiro[1,5-dihydro-1,4-benzodiazepine-3,3'-pyrrolidine]-2-one.

Molecular Properties

Compound Name4-propylspiro[1,5-dihydro-1,4-benzodiazepine-3,3'-pyrrolidine]-2-one
PubChem CID118740559
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name4-propylspiro[1,5-dihydro-1,4-benzodiazepine-3,3'-pyrrolidine]-2-one
SMILESCCCN1Cc2ccccc2NC(=O)C12CCNC2
InChIInChI=1S/C15H21N3O/c1-2-9-18-10-12-5-3-4-6-13(12)17-14(19)15(18)7-8-16-11-15/h3-6,16H,2,7-11H2,1H3,(H,17,19)
InChIKeyNJZJKTNRZMEPJK-UHFFFAOYSA-N
XLogP1.58
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-propylspiro[1,5-dihydro-1,4-benzodiazepine-3,3'-pyrrolidine]-2-one?
The IUPAC name of 4-propylspiro[1,5-dihydro-1,4-benzodiazepine-3,3'-pyrrolidine]-2-one (CID 118740559) is 4-propylspiro[1,5-dihydro-1,4-benzodiazepine-3,3'-pyrrolidine]-2-one.
What is the SMILES notation for 4-propylspiro[1,5-dihydro-1,4-benzodiazepine-3,3'-pyrrolidine]-2-one?
The canonical SMILES for 4-propylspiro[1,5-dihydro-1,4-benzodiazepine-3,3'-pyrrolidine]-2-one is CCCN1Cc2ccccc2NC(=O)C12CCNC2.
What is the InChIKey of 4-propylspiro[1,5-dihydro-1,4-benzodiazepine-3,3'-pyrrolidine]-2-one?
The InChIKey is NJZJKTNRZMEPJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-2-9-18-10-12-5-3-4-6-13(12)17-14(19)15(18)7-8-16-11-15/h3-6,16H,2,7-11H2,1H3,(H,17,19).
What are the key properties of 4-propylspiro[1,5-dihydro-1,4-benzodiazepine-3,3'-pyrrolidine]-2-one?
4-propylspiro[1,5-dihydro-1,4-benzodiazepine-3,3'-pyrrolidine]-2-one has a molecular weight of 259.35 g/mol, XLogP of 1.58, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propylspiro[1,5-dihydro-1,4-benzodiazepine-3,3'-pyrrolidine]-2-one is sourced from PubChem (CID 118740559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).