1,5-di(propanoyl)-2,3-dihydro-1,5-benzodiazepin-4-one

C15H18N2O3 — CID 4048075

IUPAC1,5-di(propanoyl)-2,3-dihydro-1,5-benzodiazepin-4-one
SMILESCCC(=O)N1CCC(=O)N(C(=O)CC)c2ccccc21
InChIInChI=1S/C15H18N2O3/c1-3-13(18)16-10-9-15(20)17(14(19)4-2)12-8-6-5-7-11(12)16/h5-8H,3-4,9-10H2,1-2H3
InChIKeyKGSVUFYLCIAEPS-UHFFFAOYSA-N
MW274.32 g/mol
LogP2.10
Rot. Bonds2

About 1,5-di(propanoyl)-2,3-dihydro-1,5-benzodiazepin-4-one

1,5-di(propanoyl)-2,3-dihydro-1,5-benzodiazepin-4-one (PubChem CID 4048075) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is 1,5-di(propanoyl)-2,3-dihydro-1,5-benzodiazepin-4-one.

Molecular Properties

Compound Name1,5-di(propanoyl)-2,3-dihydro-1,5-benzodiazepin-4-one
PubChem CID4048075
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Name1,5-di(propanoyl)-2,3-dihydro-1,5-benzodiazepin-4-one
SMILESCCC(=O)N1CCC(=O)N(C(=O)CC)c2ccccc21
InChIInChI=1S/C15H18N2O3/c1-3-13(18)16-10-9-15(20)17(14(19)4-2)12-8-6-5-7-11(12)16/h5-8H,3-4,9-10H2,1-2H3
InChIKeyKGSVUFYLCIAEPS-UHFFFAOYSA-N
XLogP2.10
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-propanoyl-2,3-dihydroquinolin-4-one
CID 14501442
methyl 4-propanoyl-2,3-dihydroquinoxaline-1-carboxylate
CID 137348876
1-(4-propan-2-yl-2,3-dihydroquinoxalin-1-yl)propan-1-one
CID 110669768
1-acetyl-5-benzoyl-2,3-dihydro-1,5-benzodiazepin-4-one
CID 702388
(2S)-2-methyl-1,5-di(propanoyl)-2,3-dihydro-1,5-benzodiazepin-4-one
CID 704857
(2R)-2-methyl-1,5-di(propanoyl)-2,3-dihydro-1,5-benzodiazepin-4-one
CID 704856
4-propanoyl-1,4-benzoxazin-3-one
CID 18325679
1-acetyl-5-(2-methylpropyl)-2,3-dihydro-1,5-benzodiazepin-4-one
CID 4022666
N-ethyl-1-propanoyl-2,3-dihydroindole-4-carboxamide
CID 53159918
1-(4,4-dimethyl-2,3-dihydroquinolin-1-yl)propan-1-one;ethane
CID 142121679
N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]propanamide
CID 47413298
1,4-bis(2,3-dihydroindol-1-yl)butane-1,4-dione
CID 741114

Frequently Asked Questions

What is the IUPAC name of 1,5-di(propanoyl)-2,3-dihydro-1,5-benzodiazepin-4-one?
The IUPAC name of 1,5-di(propanoyl)-2,3-dihydro-1,5-benzodiazepin-4-one (CID 4048075) is 1,5-di(propanoyl)-2,3-dihydro-1,5-benzodiazepin-4-one.
What is the SMILES notation for 1,5-di(propanoyl)-2,3-dihydro-1,5-benzodiazepin-4-one?
The canonical SMILES for 1,5-di(propanoyl)-2,3-dihydro-1,5-benzodiazepin-4-one is CCC(=O)N1CCC(=O)N(C(=O)CC)c2ccccc21.
What is the InChIKey of 1,5-di(propanoyl)-2,3-dihydro-1,5-benzodiazepin-4-one?
The InChIKey is KGSVUFYLCIAEPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-3-13(18)16-10-9-15(20)17(14(19)4-2)12-8-6-5-7-11(12)16/h5-8H,3-4,9-10H2,1-2H3.
What are the key properties of 1,5-di(propanoyl)-2,3-dihydro-1,5-benzodiazepin-4-one?
1,5-di(propanoyl)-2,3-dihydro-1,5-benzodiazepin-4-one has a molecular weight of 274.32 g/mol, XLogP of 2.10, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-di(propanoyl)-2,3-dihydro-1,5-benzodiazepin-4-one is sourced from PubChem (CID 4048075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).