(4-oxo-1,2,3,5-tetrahydro-3-benzazepin-5-yl)carbamic acid

C11H12N2O3 — CID 57368058

IUPAC(4-oxo-1,2,3,5-tetrahydro-3-benzazepin-5-yl)carbamic acid
SMILESO=C(O)NC1C(=O)NCCc2ccccc21
InChIInChI=1S/C11H12N2O3/c14-10-9(13-11(15)16)8-4-2-1-3-7(8)5-6-12-10/h1-4,9,13H,5-6H2,(H,12,14)(H,15,16)
InChIKeyBXFNQKRSAMWYRT-UHFFFAOYSA-N
MW220.23 g/mol
LogP0.67
Rot. Bonds1

About (4-oxo-1,2,3,5-tetrahydro-3-benzazepin-5-yl)carbamic acid

(4-oxo-1,2,3,5-tetrahydro-3-benzazepin-5-yl)carbamic acid (PubChem CID 57368058) has the molecular formula C11H12N2O3 and a molecular weight of 220.23 g/mol. Its IUPAC name is (4-oxo-1,2,3,5-tetrahydro-3-benzazepin-5-yl)carbamic acid.

Molecular Properties

Compound Name(4-oxo-1,2,3,5-tetrahydro-3-benzazepin-5-yl)carbamic acid
PubChem CID57368058
Molecular FormulaC11H12N2O3
Molecular Weight220.23 g/mol
Exact Mass220.08
IUPAC Name(4-oxo-1,2,3,5-tetrahydro-3-benzazepin-5-yl)carbamic acid
SMILESO=C(O)NC1C(=O)NCCc2ccccc21
InChIInChI=1S/C11H12N2O3/c14-10-9(13-11(15)16)8-4-2-1-3-7(8)5-6-12-10/h1-4,9,13H,5-6H2,(H,12,14)(H,15,16)
InChIKeyBXFNQKRSAMWYRT-UHFFFAOYSA-N
XLogP0.67
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 50.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

5-(benzhydrylamino)-1,2,3,5-tetrahydro-3-benzazepin-4-one
CID 175909083
7-methyl-N-(4-oxo-1,2,3,5-tetrahydro-3-benzazepin-5-yl)-2,3-dihydro-1H-indole-2-carboxamide
CID 146644405
5-amino-1,2,3,5-tetrahydro-3-benzazepin-4-one
CID 22312263
1-methyl-N-(3-oxo-2,4-dihydro-1H-isoquinolin-4-yl)piperidine-4-carboxamide
CID 167064888
argon;1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid
CID 160886017
[(4S)-3-oxo-1,2,4,5-tetrahydro-2-benzazepin-4-yl]carbamic acid
CID 70165629
N-phenyl-1,2,3,4-tetrahydroisoquinoline-1-carboxamide;hydrochloride
CID 23333350
7-oxo-6-azabicyclo[10.4.0]hexadeca-1(16),12,14-triene-8-carboxylic acid
CID 54582069
2-(1,2,3,4-tetrahydroisoquinolin-1-yl)acetic acid
CID 2733683
N-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)cyclopentanecarboxamide
CID 70274583
1,2,3,5,6,7-hexahydro-3,5-benzodiazonin-4-one
CID 22722283
(2S)-2-(2,3-dihydroindol-1-yl)-N-[(3S)-2-oxopiperidin-3-yl]-2-phenylacetamide
CID 95326856

Frequently Asked Questions

What is the IUPAC name of (4-oxo-1,2,3,5-tetrahydro-3-benzazepin-5-yl)carbamic acid?
The IUPAC name of (4-oxo-1,2,3,5-tetrahydro-3-benzazepin-5-yl)carbamic acid (CID 57368058) is (4-oxo-1,2,3,5-tetrahydro-3-benzazepin-5-yl)carbamic acid.
What is the SMILES notation for (4-oxo-1,2,3,5-tetrahydro-3-benzazepin-5-yl)carbamic acid?
The canonical SMILES for (4-oxo-1,2,3,5-tetrahydro-3-benzazepin-5-yl)carbamic acid is O=C(O)NC1C(=O)NCCc2ccccc21.
What is the InChIKey of (4-oxo-1,2,3,5-tetrahydro-3-benzazepin-5-yl)carbamic acid?
The InChIKey is BXFNQKRSAMWYRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O3/c14-10-9(13-11(15)16)8-4-2-1-3-7(8)5-6-12-10/h1-4,9,13H,5-6H2,(H,12,14)(H,15,16).
What are the key properties of (4-oxo-1,2,3,5-tetrahydro-3-benzazepin-5-yl)carbamic acid?
(4-oxo-1,2,3,5-tetrahydro-3-benzazepin-5-yl)carbamic acid has a molecular weight of 220.23 g/mol, XLogP of 0.67, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-oxo-1,2,3,5-tetrahydro-3-benzazepin-5-yl)carbamic acid is sourced from PubChem (CID 57368058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).