1-(5-methylfuran-2-carbonyl)-3,4-dihydro-2H-1-benzazepin-5-one

C16H15NO3 — CID 114336564

IUPAC1-(5-methylfuran-2-carbonyl)-3,4-dihydro-2H-1-benzazepin-5-one
SMILESCc1ccc(C(=O)N2CCCC(=O)c3ccccc32)o1
InChIInChI=1S/C16H15NO3/c1-11-8-9-15(20-11)16(19)17-10-4-7-14(18)12-5-2-3-6-13(12)17/h2-3,5-6,8-9H,4,7,10H2,1H3
InChIKeyLDIQMFXFXMUHFP-UHFFFAOYSA-N
MW269.30 g/mol
LogP3.21
Rot. Bonds1

About 1-(5-methylfuran-2-carbonyl)-3,4-dihydro-2H-1-benzazepin-5-one

1-(5-methylfuran-2-carbonyl)-3,4-dihydro-2H-1-benzazepin-5-one (PubChem CID 114336564) has the molecular formula C16H15NO3 and a molecular weight of 269.30 g/mol. Its IUPAC name is 1-(5-methylfuran-2-carbonyl)-3,4-dihydro-2H-1-benzazepin-5-one.

Molecular Properties

Compound Name1-(5-methylfuran-2-carbonyl)-3,4-dihydro-2H-1-benzazepin-5-one
PubChem CID114336564
Molecular FormulaC16H15NO3
Molecular Weight269.30 g/mol
Exact Mass269.11
IUPAC Name1-(5-methylfuran-2-carbonyl)-3,4-dihydro-2H-1-benzazepin-5-one
SMILESCc1ccc(C(=O)N2CCCC(=O)c3ccccc32)o1
InChIInChI=1S/C16H15NO3/c1-11-8-9-15(20-11)16(19)17-10-4-7-14(18)12-5-2-3-6-13(12)17/h2-3,5-6,8-9H,4,7,10H2,1H3
InChIKeyLDIQMFXFXMUHFP-UHFFFAOYSA-N
XLogP3.21
TPSA50.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[(5Z)-5-hydroxyimino-3,4-dihydro-2H-1-benzazepin-1-yl]-(5-methylfuran-2-yl)methanone
CID 114337091
(4-hydroxyimino-2,3-dihydroquinolin-1-yl)-(5-methylfuran-2-yl)methanone
CID 77033785
1-(5-methylthiophene-2-carbonyl)-3,4-dihydro-2H-1-benzazepin-5-one
CID 114336602
1-(2-methylpyrazole-3-carbonyl)-3,4-dihydro-2H-1-benzazepin-5-one
CID 114336551
1-(1,2-oxazole-3-carbonyl)-3,4-dihydro-2H-1-benzazepin-5-one
CID 114336592
1-(2-methylpropanoyl)-3,4-dihydro-2H-1-benzazepin-5-one
CID 114336498
1-(2-bromobenzoyl)-3,4-dihydro-2H-1-benzazepin-5-one
CID 114336539
1-(5-methylfuran-3-carbonyl)-2,3-dihydroquinolin-4-one
CID 114820791
1-(2-methyl-1,3-thiazole-4-carbonyl)-3,4-dihydro-2H-1-benzazepin-5-one
CID 114336521
1-(4-aminobenzoyl)-2,3,4,5-tetrahydro-1-benzazocin-6-one
CID 19608125
1-(5-methylfuran-2-carbonyl)-2,3-dihydroindole-5-carboxylic acid
CID 43217662
4-(5-methylfuran-2-carbonyl)-1,3-dihydroquinoxalin-2-one
CID 2475308

Frequently Asked Questions

What is the IUPAC name of 1-(5-methylfuran-2-carbonyl)-3,4-dihydro-2H-1-benzazepin-5-one?
The IUPAC name of 1-(5-methylfuran-2-carbonyl)-3,4-dihydro-2H-1-benzazepin-5-one (CID 114336564) is 1-(5-methylfuran-2-carbonyl)-3,4-dihydro-2H-1-benzazepin-5-one.
What is the SMILES notation for 1-(5-methylfuran-2-carbonyl)-3,4-dihydro-2H-1-benzazepin-5-one?
The canonical SMILES for 1-(5-methylfuran-2-carbonyl)-3,4-dihydro-2H-1-benzazepin-5-one is Cc1ccc(C(=O)N2CCCC(=O)c3ccccc32)o1.
What is the InChIKey of 1-(5-methylfuran-2-carbonyl)-3,4-dihydro-2H-1-benzazepin-5-one?
The InChIKey is LDIQMFXFXMUHFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO3/c1-11-8-9-15(20-11)16(19)17-10-4-7-14(18)12-5-2-3-6-13(12)17/h2-3,5-6,8-9H,4,7,10H2,1H3.
What are the key properties of 1-(5-methylfuran-2-carbonyl)-3,4-dihydro-2H-1-benzazepin-5-one?
1-(5-methylfuran-2-carbonyl)-3,4-dihydro-2H-1-benzazepin-5-one has a molecular weight of 269.30 g/mol, XLogP of 3.21, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methylfuran-2-carbonyl)-3,4-dihydro-2H-1-benzazepin-5-one is sourced from PubChem (CID 114336564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).