1-(5-amino-2,3-dihydro-1H-inden-1-yl)-1,4-diazepan-5-one

C14H19N3O — CID 79741363

IUPAC1-(5-amino-2,3-dihydro-1H-inden-1-yl)-1,4-diazepan-5-one
SMILESNc1ccc2c(c1)CCC2N1CCNC(=O)CC1
InChIInChI=1S/C14H19N3O/c15-11-2-3-12-10(9-11)1-4-13(12)17-7-5-14(18)16-6-8-17/h2-3,9,13H,1,4-8,15H2,(H,16,18)
InChIKeyCFPGTBUFEDVDIE-UHFFFAOYSA-N
MW245.33 g/mol
LogP1.08
Rot. Bonds1

About 1-(5-amino-2,3-dihydro-1H-inden-1-yl)-1,4-diazepan-5-one

1-(5-amino-2,3-dihydro-1H-inden-1-yl)-1,4-diazepan-5-one (PubChem CID 79741363) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 1-(5-amino-2,3-dihydro-1H-inden-1-yl)-1,4-diazepan-5-one.

Molecular Properties

Compound Name1-(5-amino-2,3-dihydro-1H-inden-1-yl)-1,4-diazepan-5-one
PubChem CID79741363
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name1-(5-amino-2,3-dihydro-1H-inden-1-yl)-1,4-diazepan-5-one
SMILESNc1ccc2c(c1)CCC2N1CCNC(=O)CC1
InChIInChI=1S/C14H19N3O/c15-11-2-3-12-10(9-11)1-4-13(12)17-7-5-14(18)16-6-8-17/h2-3,9,13H,1,4-8,15H2,(H,16,18)
InChIKeyCFPGTBUFEDVDIE-UHFFFAOYSA-N
XLogP1.08
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(5-amino-2,3-dihydro-1H-inden-1-yl)-3-methylpiperazin-2-one
CID 79741089
1-(4-chloro-2,3-dihydro-1H-inden-1-yl)-1,4-diazepan-5-one
CID 84589734
1-(4-propan-2-ylpiperazin-1-yl)-2,3-dihydro-1H-inden-5-amine
CID 79742082
5-piperidin-1-yl-5,6,7,8-tetrahydronaphthalen-2-amine
CID 116650618
1-(4-propylpiperidin-1-yl)-2,3-dihydro-1H-inden-5-amine
CID 79741362
1-(7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)-1,4-diazepan-5-one
CID 127649455
4-(5-amino-2,3-dihydro-1H-inden-1-yl)-1-methyl-1,4-diazepan-2-one
CID 102887555
1-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-2,3-dihydro-1H-inden-5-amine
CID 79721838
1-(2-azaspiro[3.6]decan-2-yl)-2,3-dihydro-1H-inden-5-amine
CID 79721711
1-(2-azaspiro[3.5]nonan-2-yl)-2,3-dihydro-1H-inden-5-amine
CID 79746635
1-(3-methoxypyrrolidin-1-yl)-2,3-dihydro-1H-inden-5-amine
CID 103541608
1-[3-(trifluoromethyl)piperidin-1-yl]-2,3-dihydro-1H-inden-5-amine
CID 79741185

Frequently Asked Questions

What is the IUPAC name of 1-(5-amino-2,3-dihydro-1H-inden-1-yl)-1,4-diazepan-5-one?
The IUPAC name of 1-(5-amino-2,3-dihydro-1H-inden-1-yl)-1,4-diazepan-5-one (CID 79741363) is 1-(5-amino-2,3-dihydro-1H-inden-1-yl)-1,4-diazepan-5-one.
What is the SMILES notation for 1-(5-amino-2,3-dihydro-1H-inden-1-yl)-1,4-diazepan-5-one?
The canonical SMILES for 1-(5-amino-2,3-dihydro-1H-inden-1-yl)-1,4-diazepan-5-one is Nc1ccc2c(c1)CCC2N1CCNC(=O)CC1.
What is the InChIKey of 1-(5-amino-2,3-dihydro-1H-inden-1-yl)-1,4-diazepan-5-one?
The InChIKey is CFPGTBUFEDVDIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c15-11-2-3-12-10(9-11)1-4-13(12)17-7-5-14(18)16-6-8-17/h2-3,9,13H,1,4-8,15H2,(H,16,18).
What are the key properties of 1-(5-amino-2,3-dihydro-1H-inden-1-yl)-1,4-diazepan-5-one?
1-(5-amino-2,3-dihydro-1H-inden-1-yl)-1,4-diazepan-5-one has a molecular weight of 245.33 g/mol, XLogP of 1.08, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-amino-2,3-dihydro-1H-inden-1-yl)-1,4-diazepan-5-one is sourced from PubChem (CID 79741363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).