7-(2-oxopyrrolidin-3-yl)oxy-1,3,4,5-tetrahydro-1-benzazepin-2-one

C14H16N2O3 — CID 146084890

IUPAC7-(2-oxopyrrolidin-3-yl)oxy-1,3,4,5-tetrahydro-1-benzazepin-2-one
SMILESO=C1CCCc2cc(OC3CCNC3=O)ccc2N1
InChIInChI=1S/C14H16N2O3/c17-13-3-1-2-9-8-10(4-5-11(9)16-13)19-12-6-7-15-14(12)18/h4-5,8,12H,1-3,6-7H2,(H,15,18)(H,16,17)
InChIKeyZRUICPDKHAMUDQ-UHFFFAOYSA-N
MW260.29 g/mol
LogP1.23
Rot. Bonds2

About 7-(2-oxopyrrolidin-3-yl)oxy-1,3,4,5-tetrahydro-1-benzazepin-2-one

7-(2-oxopyrrolidin-3-yl)oxy-1,3,4,5-tetrahydro-1-benzazepin-2-one (PubChem CID 146084890) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is 7-(2-oxopyrrolidin-3-yl)oxy-1,3,4,5-tetrahydro-1-benzazepin-2-one.

Molecular Properties

Compound Name7-(2-oxopyrrolidin-3-yl)oxy-1,3,4,5-tetrahydro-1-benzazepin-2-one
PubChem CID146084890
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Name7-(2-oxopyrrolidin-3-yl)oxy-1,3,4,5-tetrahydro-1-benzazepin-2-one
SMILESO=C1CCCc2cc(OC3CCNC3=O)ccc2N1
InChIInChI=1S/C14H16N2O3/c17-13-3-1-2-9-8-10(4-5-11(9)16-13)19-12-6-7-15-14(12)18/h4-5,8,12H,1-3,6-7H2,(H,15,18)(H,16,17)
InChIKeyZRUICPDKHAMUDQ-UHFFFAOYSA-N
XLogP1.23
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-[(1S,2S)-2-hydroxycyclopentyl]oxy-3,4-dihydro-1H-quinolin-2-one
CID 93346628
7-sulfanyl-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 43165333
6-cyclohexyloxy-1,2,3,4-tetrahydroquinoline
CID 115075220
7-(4-oxo-4-piperidin-1-ylbutoxy)-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 172880240
6-[2-(2-aminocyclopentyl)ethoxy]-3,4-dihydro-1H-quinolin-2-one
CID 79573107
N-cyclooctyl-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide
CID 20927826
7-[amino(cyclopentyl)methyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 43342875
3-[4-(1-aminoethyl)phenoxy]pyrrolidin-2-one
CID 117052210
(3R)-3-[4-(cyclopropanecarbonyl)phenoxy]pyrrolidin-2-one
CID 135306604
pyridine;6-(4-sulfanylbutoxy)-3,4-dihydro-1H-quinolin-2-one
CID 88752389
7-(2-aminoethyl)-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 82190756
7-cycloheptyloxy-3,4-dihydro-1H-quinolin-2-one
CID 114940056

Frequently Asked Questions

What is the IUPAC name of 7-(2-oxopyrrolidin-3-yl)oxy-1,3,4,5-tetrahydro-1-benzazepin-2-one?
The IUPAC name of 7-(2-oxopyrrolidin-3-yl)oxy-1,3,4,5-tetrahydro-1-benzazepin-2-one (CID 146084890) is 7-(2-oxopyrrolidin-3-yl)oxy-1,3,4,5-tetrahydro-1-benzazepin-2-one.
What is the SMILES notation for 7-(2-oxopyrrolidin-3-yl)oxy-1,3,4,5-tetrahydro-1-benzazepin-2-one?
The canonical SMILES for 7-(2-oxopyrrolidin-3-yl)oxy-1,3,4,5-tetrahydro-1-benzazepin-2-one is O=C1CCCc2cc(OC3CCNC3=O)ccc2N1.
What is the InChIKey of 7-(2-oxopyrrolidin-3-yl)oxy-1,3,4,5-tetrahydro-1-benzazepin-2-one?
The InChIKey is ZRUICPDKHAMUDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c17-13-3-1-2-9-8-10(4-5-11(9)16-13)19-12-6-7-15-14(12)18/h4-5,8,12H,1-3,6-7H2,(H,15,18)(H,16,17).
What are the key properties of 7-(2-oxopyrrolidin-3-yl)oxy-1,3,4,5-tetrahydro-1-benzazepin-2-one?
7-(2-oxopyrrolidin-3-yl)oxy-1,3,4,5-tetrahydro-1-benzazepin-2-one has a molecular weight of 260.29 g/mol, XLogP of 1.23, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-oxopyrrolidin-3-yl)oxy-1,3,4,5-tetrahydro-1-benzazepin-2-one is sourced from PubChem (CID 146084890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).