8-butyl-6-propyl-8,9-dihydro-5H-[1,3]dioxolo[4,5-h][2]benzazepin-7-one

C18H25NO3 — CID 57409220

IUPAC8-butyl-6-propyl-8,9-dihydro-5H-[1,3]dioxolo[4,5-h][2]benzazepin-7-one
SMILESCCCCC1Cc2cc3c(cc2CN(CCC)C1=O)OCO3
InChIInChI=1S/C18H25NO3/c1-3-5-6-13-8-14-9-16-17(22-12-21-16)10-15(14)11-19(7-4-2)18(13)20/h9-10,13H,3-8,11-12H2,1-2H3
InChIKeySVXNENNDPGQUGC-UHFFFAOYSA-N
MW303.40 g/mol
LogP3.52
Rot. Bonds5

About 8-butyl-6-propyl-8,9-dihydro-5H-[1,3]dioxolo[4,5-h][2]benzazepin-7-one

8-butyl-6-propyl-8,9-dihydro-5H-[1,3]dioxolo[4,5-h][2]benzazepin-7-one (PubChem CID 57409220) has the molecular formula C18H25NO3 and a molecular weight of 303.40 g/mol. Its IUPAC name is 8-butyl-6-propyl-8,9-dihydro-5H-[1,3]dioxolo[4,5-h][2]benzazepin-7-one.

Molecular Properties

Compound Name8-butyl-6-propyl-8,9-dihydro-5H-[1,3]dioxolo[4,5-h][2]benzazepin-7-one
PubChem CID57409220
Molecular FormulaC18H25NO3
Molecular Weight303.40 g/mol
Exact Mass303.18
IUPAC Name8-butyl-6-propyl-8,9-dihydro-5H-[1,3]dioxolo[4,5-h][2]benzazepin-7-one
SMILESCCCCC1Cc2cc3c(cc2CN(CCC)C1=O)OCO3
InChIInChI=1S/C18H25NO3/c1-3-5-6-13-8-14-9-16-17(22-12-21-16)10-15(14)11-19(7-4-2)18(13)20/h9-10,13H,3-8,11-12H2,1-2H3
InChIKeySVXNENNDPGQUGC-UHFFFAOYSA-N
XLogP3.52
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.40
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 8-butyl-6-propyl-8,9-dihydro-5H-[1,3]dioxolo[4,5-h][2]benzazepin-7-one with MolForge

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Related Compounds

(6R,7R)-6-butyl-N,N-dimethyl-6,7-dihydro-5H-cyclopenta[f][1,3]benzodioxol-7-amine;hydrochloride
CID 12950648
2-butyl-4-methyl-3a,4,5,10b-tetrahydro-[1,3]benzodioxolo[6,5-e]isoindole-1,3-dione
CID 134094557
3-dodecyl-1-propylpyrrolidin-2-one
CID 10149503
(3S)-3-butyloxetan-2-one
CID 11491937
3-butyl-1-hydroxypyrrolidine-2,5-dione
CID 59622423
6-amino-5,8-dihydro-[1,3]dioxolo[4,5-g]isoquinolin-7-one
CID 121215736
(2R,8S)-2-(1,3-benzodioxol-5-yl)-6-butyl-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraene-4,7-dione
CID 71314452
6,7-dihydro-5H-cyclopenta[f][1,3]benzodioxol-6-ylazanium
CID 51419396
cyclopentyl-(7-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-6-yl)methanone
CID 110727575
7-ethyl-5-propyl-7,8-dihydro-[1,3]dioxolo[4,5-g]quinoxalin-6-one
CID 82157916
5-dodecyl-4-ethenyl-6H-[1,3]dioxolo[4,5-j]phenanthridine
CID 155017360
3-butyl-3,4-dihydro-1H-quinolin-2-one
CID 12715425

Frequently Asked Questions

What is the IUPAC name of 8-butyl-6-propyl-8,9-dihydro-5H-[1,3]dioxolo[4,5-h][2]benzazepin-7-one?
The IUPAC name of 8-butyl-6-propyl-8,9-dihydro-5H-[1,3]dioxolo[4,5-h][2]benzazepin-7-one (CID 57409220) is 8-butyl-6-propyl-8,9-dihydro-5H-[1,3]dioxolo[4,5-h][2]benzazepin-7-one.
What is the SMILES notation for 8-butyl-6-propyl-8,9-dihydro-5H-[1,3]dioxolo[4,5-h][2]benzazepin-7-one?
The canonical SMILES for 8-butyl-6-propyl-8,9-dihydro-5H-[1,3]dioxolo[4,5-h][2]benzazepin-7-one is CCCCC1Cc2cc3c(cc2CN(CCC)C1=O)OCO3.
What is the InChIKey of 8-butyl-6-propyl-8,9-dihydro-5H-[1,3]dioxolo[4,5-h][2]benzazepin-7-one?
The InChIKey is SVXNENNDPGQUGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO3/c1-3-5-6-13-8-14-9-16-17(22-12-21-16)10-15(14)11-19(7-4-2)18(13)20/h9-10,13H,3-8,11-12H2,1-2H3.
What are the key properties of 8-butyl-6-propyl-8,9-dihydro-5H-[1,3]dioxolo[4,5-h][2]benzazepin-7-one?
8-butyl-6-propyl-8,9-dihydro-5H-[1,3]dioxolo[4,5-h][2]benzazepin-7-one has a molecular weight of 303.40 g/mol, XLogP of 3.52, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-butyl-6-propyl-8,9-dihydro-5H-[1,3]dioxolo[4,5-h][2]benzazepin-7-one is sourced from PubChem (CID 57409220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).