7-amino-1-[(5,5-dimethyloxolan-2-yl)methyl]-4,5-dihydro-3H-1-benzazepin-2-one

C17H24N2O2 — CID 116521754

IUPAC7-amino-1-[(5,5-dimethyloxolan-2-yl)methyl]-4,5-dihydro-3H-1-benzazepin-2-one
SMILESCC1(C)CCC(CN2C(=O)CCCc3cc(N)ccc32)O1
InChIInChI=1S/C17H24N2O2/c1-17(2)9-8-14(21-17)11-19-15-7-6-13(18)10-12(15)4-3-5-16(19)20/h6-7,10,14H,3-5,8-9,11,18H2,1-2H3
InChIKeyVGORAWFRMDPNOQ-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.90
Rot. Bonds2

About 7-amino-1-[(5,5-dimethyloxolan-2-yl)methyl]-4,5-dihydro-3H-1-benzazepin-2-one

7-amino-1-[(5,5-dimethyloxolan-2-yl)methyl]-4,5-dihydro-3H-1-benzazepin-2-one (PubChem CID 116521754) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 7-amino-1-[(5,5-dimethyloxolan-2-yl)methyl]-4,5-dihydro-3H-1-benzazepin-2-one.

Molecular Properties

Compound Name7-amino-1-[(5,5-dimethyloxolan-2-yl)methyl]-4,5-dihydro-3H-1-benzazepin-2-one
PubChem CID116521754
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name7-amino-1-[(5,5-dimethyloxolan-2-yl)methyl]-4,5-dihydro-3H-1-benzazepin-2-one
SMILESCC1(C)CCC(CN2C(=O)CCCc3cc(N)ccc32)O1
InChIInChI=1S/C17H24N2O2/c1-17(2)9-8-14(21-17)11-19-15-7-6-13(18)10-12(15)4-3-5-16(19)20/h6-7,10,14H,3-5,8-9,11,18H2,1-2H3
InChIKeyVGORAWFRMDPNOQ-UHFFFAOYSA-N
XLogP2.90
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 7-amino-1-[(5,5-dimethyloxolan-2-yl)methyl]-4,5-dihydro-3H-1-benzazepin-2-one with MolForge

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Related Compounds

6-amino-1-(cyclohexylmethyl)-3,4-dihydroquinolin-2-one
CID 43446552
6-amino-1-[[(1R)-2,2-dichlorocyclopropyl]methyl]-3,4-dihydroquinolin-2-one
CID 125483451
4-(7-amino-2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)-N-methylbutanamide
CID 63892702
2-(7-amino-2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)-N-ethylacetamide
CID 43446649
7-amino-1-[2-(trifluoromethylsulfanyl)ethyl]-4,5-dihydro-3H-1-benzazepin-2-one
CID 116615836
5-amino-1-(cyclobutylmethyl)-3H-indol-2-one
CID 65457808
6-amino-1-[(1-aminocyclopropyl)methyl]-3,4-dihydroquinolin-2-one
CID 115256369
7-amino-1-(3-imidazol-1-ylpropyl)-4,5-dihydro-3H-1-benzazepin-2-one
CID 61494690
7-amino-1-[2-(3-methylbutoxy)ethyl]-4,5-dihydro-3H-1-benzazepin-2-one
CID 61483473
5-amino-1-(cyclohexylmethyl)-3H-indol-2-one
CID 43382539
2-(7-amino-2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)-N-butylacetamide
CID 61485959
6-amino-1-(morpholin-3-ylmethyl)-3,4-dihydroquinolin-2-one
CID 115237843

Frequently Asked Questions

What is the IUPAC name of 7-amino-1-[(5,5-dimethyloxolan-2-yl)methyl]-4,5-dihydro-3H-1-benzazepin-2-one?
The IUPAC name of 7-amino-1-[(5,5-dimethyloxolan-2-yl)methyl]-4,5-dihydro-3H-1-benzazepin-2-one (CID 116521754) is 7-amino-1-[(5,5-dimethyloxolan-2-yl)methyl]-4,5-dihydro-3H-1-benzazepin-2-one.
What is the SMILES notation for 7-amino-1-[(5,5-dimethyloxolan-2-yl)methyl]-4,5-dihydro-3H-1-benzazepin-2-one?
The canonical SMILES for 7-amino-1-[(5,5-dimethyloxolan-2-yl)methyl]-4,5-dihydro-3H-1-benzazepin-2-one is CC1(C)CCC(CN2C(=O)CCCc3cc(N)ccc32)O1.
What is the InChIKey of 7-amino-1-[(5,5-dimethyloxolan-2-yl)methyl]-4,5-dihydro-3H-1-benzazepin-2-one?
The InChIKey is VGORAWFRMDPNOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-17(2)9-8-14(21-17)11-19-15-7-6-13(18)10-12(15)4-3-5-16(19)20/h6-7,10,14H,3-5,8-9,11,18H2,1-2H3.
What are the key properties of 7-amino-1-[(5,5-dimethyloxolan-2-yl)methyl]-4,5-dihydro-3H-1-benzazepin-2-one?
7-amino-1-[(5,5-dimethyloxolan-2-yl)methyl]-4,5-dihydro-3H-1-benzazepin-2-one has a molecular weight of 288.39 g/mol, XLogP of 2.90, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-1-[(5,5-dimethyloxolan-2-yl)methyl]-4,5-dihydro-3H-1-benzazepin-2-one is sourced from PubChem (CID 116521754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).