3-amino-1-(2-oxo-2-pyrrolidin-1-ylethyl)-4,5-dihydro-3H-1-benzazepin-2-one

C16H21N3O2 — CID 18612553

IUPAC3-amino-1-(2-oxo-2-pyrrolidin-1-ylethyl)-4,5-dihydro-3H-1-benzazepin-2-one
SMILESNC1CCc2ccccc2N(CC(=O)N2CCCC2)C1=O
InChIInChI=1S/C16H21N3O2/c17-13-8-7-12-5-1-2-6-14(12)19(16(13)21)11-15(20)18-9-3-4-10-18/h1-2,5-6,13H,3-4,7-11,17H2
InChIKeyFBMYTLJNJXKBNI-UHFFFAOYSA-N
MW287.36 g/mol
LogP0.92
Rot. Bonds2

About 3-amino-1-(2-oxo-2-pyrrolidin-1-ylethyl)-4,5-dihydro-3H-1-benzazepin-2-one

3-amino-1-(2-oxo-2-pyrrolidin-1-ylethyl)-4,5-dihydro-3H-1-benzazepin-2-one (PubChem CID 18612553) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 3-amino-1-(2-oxo-2-pyrrolidin-1-ylethyl)-4,5-dihydro-3H-1-benzazepin-2-one.

Molecular Properties

Compound Name3-amino-1-(2-oxo-2-pyrrolidin-1-ylethyl)-4,5-dihydro-3H-1-benzazepin-2-one
PubChem CID18612553
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name3-amino-1-(2-oxo-2-pyrrolidin-1-ylethyl)-4,5-dihydro-3H-1-benzazepin-2-one
SMILESNC1CCc2ccccc2N(CC(=O)N2CCCC2)C1=O
InChIInChI=1S/C16H21N3O2/c17-13-8-7-12-5-1-2-6-14(12)19(16(13)21)11-15(20)18-9-3-4-10-18/h1-2,5-6,13H,3-4,7-11,17H2
InChIKeyFBMYTLJNJXKBNI-UHFFFAOYSA-N
XLogP0.92
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-amino-1-(2-oxo-2-pyrrolidin-1-ylethyl)-4,5-dihydro-3H-1-benzazepin-2-one with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl-[2-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)-4,5-dihydro-3H-1-benzazepin-3-yl]carbamic acid
CID 70032833
ethyl 2-(3-amino-2-oxo-4,5,6,7-tetrahydro-3H-1-benzazonin-1-yl)acetate
CID 13338733
2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-1-pyrrolidin-1-ylethanone
CID 162353371
2-[2-(aminomethyl)-3,4-dihydro-2H-quinolin-1-yl]-1-piperidin-1-ylethanone
CID 63219146
(6aS)-5-(2-oxo-2-pyrrolidin-1-ylethyl)-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepine-6,11-dione
CID 7442534
(3S)-1-[2-(2-oxo-3,4-dihydroquinolin-1-yl)acetyl]piperidine-3-carboxylic acid
CID 99639011
3-amino-1-[2-oxo-2-(3-oxopiperazin-1-yl)ethyl]-3,4-dihydroquinolin-2-one
CID 68901424
tert-butyl 2-(3-amino-2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)acetate;2,3-dihydroxybutanedioic acid
CID 14017565
2-methyl-4-(2-oxo-2-pyrrolidin-1-ylethyl)-1,4-benzoxazin-3-one
CID 18131937
1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-4,5-dihydro-3H-1-benzazepin-2-one
CID 50758126
3-amino-1-[(4-propan-2-ylphenyl)methyl]-4,5-dihydro-3H-1-benzazepin-2-one
CID 21478504
butan-2-yl 2-[(3S)-3-amino-2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl]acetate;(2R,3R)-2,3-dihydroxybutanedioic acid
CID 118856017

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(2-oxo-2-pyrrolidin-1-ylethyl)-4,5-dihydro-3H-1-benzazepin-2-one?
The IUPAC name of 3-amino-1-(2-oxo-2-pyrrolidin-1-ylethyl)-4,5-dihydro-3H-1-benzazepin-2-one (CID 18612553) is 3-amino-1-(2-oxo-2-pyrrolidin-1-ylethyl)-4,5-dihydro-3H-1-benzazepin-2-one.
What is the SMILES notation for 3-amino-1-(2-oxo-2-pyrrolidin-1-ylethyl)-4,5-dihydro-3H-1-benzazepin-2-one?
The canonical SMILES for 3-amino-1-(2-oxo-2-pyrrolidin-1-ylethyl)-4,5-dihydro-3H-1-benzazepin-2-one is NC1CCc2ccccc2N(CC(=O)N2CCCC2)C1=O.
What is the InChIKey of 3-amino-1-(2-oxo-2-pyrrolidin-1-ylethyl)-4,5-dihydro-3H-1-benzazepin-2-one?
The InChIKey is FBMYTLJNJXKBNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c17-13-8-7-12-5-1-2-6-14(12)19(16(13)21)11-15(20)18-9-3-4-10-18/h1-2,5-6,13H,3-4,7-11,17H2.
What are the key properties of 3-amino-1-(2-oxo-2-pyrrolidin-1-ylethyl)-4,5-dihydro-3H-1-benzazepin-2-one?
3-amino-1-(2-oxo-2-pyrrolidin-1-ylethyl)-4,5-dihydro-3H-1-benzazepin-2-one has a molecular weight of 287.36 g/mol, XLogP of 0.92, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(2-oxo-2-pyrrolidin-1-ylethyl)-4,5-dihydro-3H-1-benzazepin-2-one is sourced from PubChem (CID 18612553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).