7,8-diethoxy-1,3-dihydro-3-benzazepin-2-one

C14H17NO3 — CID 70501624

IUPAC7,8-diethoxy-1,3-dihydro-3-benzazepin-2-one
SMILESCCOc1cc2c(cc1OCC)CC(=O)NC=C2
InChIInChI=1S/C14H17NO3/c1-3-17-12-7-10-5-6-15-14(16)9-11(10)8-13(12)18-4-2/h5-8H,3-4,9H2,1-2H3,(H,15,16)
InChIKeyBLGBLAUQTZLWPR-UHFFFAOYSA-N
MW247.29 g/mol
LogP2.13
Rot. Bonds4

About 7,8-diethoxy-1,3-dihydro-3-benzazepin-2-one

7,8-diethoxy-1,3-dihydro-3-benzazepin-2-one (PubChem CID 70501624) has the molecular formula C14H17NO3 and a molecular weight of 247.29 g/mol. Its IUPAC name is 7,8-diethoxy-1,3-dihydro-3-benzazepin-2-one.

Molecular Properties

Compound Name7,8-diethoxy-1,3-dihydro-3-benzazepin-2-one
PubChem CID70501624
Molecular FormulaC14H17NO3
Molecular Weight247.29 g/mol
Exact Mass247.12
IUPAC Name7,8-diethoxy-1,3-dihydro-3-benzazepin-2-one
SMILESCCOc1cc2c(cc1OCC)CC(=O)NC=C2
InChIInChI=1S/C14H17NO3/c1-3-17-12-7-10-5-6-15-14(16)9-11(10)8-13(12)18-4-2/h5-8H,3-4,9H2,1-2H3,(H,15,16)
InChIKeyBLGBLAUQTZLWPR-UHFFFAOYSA-N
XLogP2.13
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7,8-dimethyl-1,3-dihydro-3-benzazepin-2-one;ethane
CID 144564580
5,6-diethoxy-1,3-dihydroindol-2-one
CID 22668692
5,6,12,13,19,20-hexaethoxytetracyclo[15.4.0.03,8.010,15]henicosa-1(21),3,5,7,10,12,14,17,19-nonaene
CID 4918984
4,14,19,24,29,34,36,38,40,42,44,48-dodecaethoxyoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetraconta-1(36),3(49),4,6(48),8(47),10,13,15,18,20,23,25,28(39),29,31(38),33(37),34,40,42,44-icosaene-9,46-dione
CID 177484496
4,9,14,19,24,29,31,33,35,37,39,41-dodecaethoxyheptacyclo[26.2.2.23,6.28,11.213,16.218,21.223,26]dotetraconta-1(30),3(42),4,6(41),8(40),9,11(39),13(38),14,16(37),18,20,23,25,28,31,33,35-octadecaene;molecular iodine
CID 139125685
7,8-dimethoxy-3-pentyl-1H-3-benzazepin-2-one
CID 123825761
2-[(6-ethoxy-2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxy]acetic acid
CID 46786283
5-ethoxy-6-methoxy-2,3-dihydroinden-1-one
CID 14635993
4-(3,4-diethoxyphenyl)morpholine
CID 154477521
9,19,24,26,28,32-hexaethoxyhexacyclo[21.2.2.23,6.28,11.213,16.218,21]pentatriaconta-1(25),3,5,8(33),9,11(32),13(31),14,16(30),18(29),19,21(28),23,26,34-pentadecaene-4,14,30,34-tetrol
CID 71538266
4-(3,4-diethoxyphenyl)azetidin-2-one
CID 131885056
2-[[6,12,19-triethoxy-13,20-bis(oxiran-2-ylmethoxy)-5-tetracyclo[15.4.0.03,8.010,15]henicosa-1(21),3,5,7,10,12,14,17,19-nonaenyl]oxymethyl]oxirane
CID 102586513

Frequently Asked Questions

What is the IUPAC name of 7,8-diethoxy-1,3-dihydro-3-benzazepin-2-one?
The IUPAC name of 7,8-diethoxy-1,3-dihydro-3-benzazepin-2-one (CID 70501624) is 7,8-diethoxy-1,3-dihydro-3-benzazepin-2-one.
What is the SMILES notation for 7,8-diethoxy-1,3-dihydro-3-benzazepin-2-one?
The canonical SMILES for 7,8-diethoxy-1,3-dihydro-3-benzazepin-2-one is CCOc1cc2c(cc1OCC)CC(=O)NC=C2.
What is the InChIKey of 7,8-diethoxy-1,3-dihydro-3-benzazepin-2-one?
The InChIKey is BLGBLAUQTZLWPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3/c1-3-17-12-7-10-5-6-15-14(16)9-11(10)8-13(12)18-4-2/h5-8H,3-4,9H2,1-2H3,(H,15,16).
What are the key properties of 7,8-diethoxy-1,3-dihydro-3-benzazepin-2-one?
7,8-diethoxy-1,3-dihydro-3-benzazepin-2-one has a molecular weight of 247.29 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-diethoxy-1,3-dihydro-3-benzazepin-2-one is sourced from PubChem (CID 70501624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).