7-[amino(cyclopentyl)methyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one

C16H22N2O — CID 43342875

IUPAC7-[amino(cyclopentyl)methyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one
SMILESNC(c1ccc2c(c1)CCCC(=O)N2)C1CCCC1
InChIInChI=1S/C16H22N2O/c17-16(11-4-1-2-5-11)13-8-9-14-12(10-13)6-3-7-15(19)18-14/h8-11,16H,1-7,17H2,(H,18,19)
InChIKeyMJWNNNIXOAJDDM-UHFFFAOYSA-N
MW258.37 g/mol
LogP3.15
Rot. Bonds2

About 7-[amino(cyclopentyl)methyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one

7-[amino(cyclopentyl)methyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one (PubChem CID 43342875) has the molecular formula C16H22N2O and a molecular weight of 258.37 g/mol. Its IUPAC name is 7-[amino(cyclopentyl)methyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one.

Molecular Properties

Compound Name7-[amino(cyclopentyl)methyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one
PubChem CID43342875
Molecular FormulaC16H22N2O
Molecular Weight258.37 g/mol
Exact Mass258.17
IUPAC Name7-[amino(cyclopentyl)methyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one
SMILESNC(c1ccc2c(c1)CCCC(=O)N2)C1CCCC1
InChIInChI=1S/C16H22N2O/c17-16(11-4-1-2-5-11)13-8-9-14-12(10-13)6-3-7-15(19)18-14/h8-11,16H,1-7,17H2,(H,18,19)
InChIKeyMJWNNNIXOAJDDM-UHFFFAOYSA-N
XLogP3.15
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

7-[(1R)-1-aminoethyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 82759360
7-(1-chloro-2-cyclopropylpropyl)-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 83148962
6-[cyclooctyl(hydroxy)methyl]-3,4-dihydro-1H-quinolin-2-one
CID 65023228
7-(2-cyclopentyl-1-hydroxyethyl)-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 61083386
7-(2-cyclohexyl-1-hydroxyethyl)-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 61080673
6-(1-amino-2-cyclopentylethyl)-3,4-dihydro-1H-quinolin-2-one
CID 43826244
cyclobutyl(1,2,3,4-tetrahydroquinolin-6-yl)methanamine
CID 165354745
7-[amino-(4-chlorophenyl)methyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 43342872
7-(2-cyclobutyl-1-hydroxyethyl)-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 103165412
7-[amino(cyclopentyl)methyl]-3,5-dihydro-2H-1,5-benzoxazepin-4-one
CID 82500531
2-cyclopentyl-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)acetic acid
CID 82488767
7-(1-amino-3,3,3-trifluoropropyl)-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 43165286

Frequently Asked Questions

What is the IUPAC name of 7-[amino(cyclopentyl)methyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one?
The IUPAC name of 7-[amino(cyclopentyl)methyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one (CID 43342875) is 7-[amino(cyclopentyl)methyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one.
What is the SMILES notation for 7-[amino(cyclopentyl)methyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one?
The canonical SMILES for 7-[amino(cyclopentyl)methyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one is NC(c1ccc2c(c1)CCCC(=O)N2)C1CCCC1.
What is the InChIKey of 7-[amino(cyclopentyl)methyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one?
The InChIKey is MJWNNNIXOAJDDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c17-16(11-4-1-2-5-11)13-8-9-14-12(10-13)6-3-7-15(19)18-14/h8-11,16H,1-7,17H2,(H,18,19).
What are the key properties of 7-[amino(cyclopentyl)methyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one?
7-[amino(cyclopentyl)methyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one has a molecular weight of 258.37 g/mol, XLogP of 3.15, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[amino(cyclopentyl)methyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one is sourced from PubChem (CID 43342875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).