1-(7-aminodibenzo-p-dioxin-2-yl)ethanone

C14H11NO3 — CID 159455740

IUPAC1-(7-aminodibenzo-p-dioxin-2-yl)ethanone
SMILESCC(=O)c1ccc2c(c1)Oc1ccc(N)cc1O2
InChIInChI=1S/C14H11NO3/c1-8(16)9-2-4-11-13(6-9)17-12-5-3-10(15)7-14(12)18-11/h2-7H,15H2,1H3
InChIKeyMRQWYQXCDOUYMP-UHFFFAOYSA-N
MW241.25 g/mol
LogP3.37
Rot. Bonds1

About 1-(7-aminodibenzo-p-dioxin-2-yl)ethanone

1-(7-aminodibenzo-p-dioxin-2-yl)ethanone (PubChem CID 159455740) has the molecular formula C14H11NO3 and a molecular weight of 241.25 g/mol. Its IUPAC name is 1-(7-aminodibenzo-p-dioxin-2-yl)ethanone.

Molecular Properties

Compound Name1-(7-aminodibenzo-p-dioxin-2-yl)ethanone
PubChem CID159455740
Molecular FormulaC14H11NO3
Molecular Weight241.25 g/mol
Exact Mass241.07
IUPAC Name1-(7-aminodibenzo-p-dioxin-2-yl)ethanone
SMILESCC(=O)c1ccc2c(c1)Oc1ccc(N)cc1O2
InChIInChI=1S/C14H11NO3/c1-8(16)9-2-4-11-13(6-9)17-12-5-3-10(15)7-14(12)18-11/h2-7H,15H2,1H3
InChIKeyMRQWYQXCDOUYMP-UHFFFAOYSA-N
XLogP3.37
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

dibenzo-p-dioxin-2-amine
CID 1070744
6-acetyl-1,4-benzodioxine-2-carboxamide
CID 19392438
6-acetyl-3,4-dihydrochromen-2-one
CID 14614729
1-(1,3-benzodioxol-5-yl)ethanone;ethene
CID 143061160
1-(21-acetyl-2,5,12,15,18-pentaoxatricyclo[17.4.0.06,11]tricosa-1(19),6(11),7,9,20,22-hexaen-8-yl)ethanone
CID 3935960
1-[4-(2,5-diaminophenyl)phenyl]ethanone
CID 18371663
dibenzo-p-dioxin-2-yl(phenyl)methanone
CID 4613440
1-(5-amino-1-benzofuran-2-yl)ethanone
CID 3783367
3-(4-acetyl-2-aminophenyl)prop-2-enal
CID 169459463
1-[4-[2-(4-aminophenyl)ethynyl]phenyl]ethanone
CID 11470363
1-(2,5,8,11,18,21,24,27-octaoxatricyclo[26.4.0.012,17]dotriaconta-1(32),12(17),13,15,28,30-hexaen-14-yl)ethanone
CID 3911959
1-(2,3-dihydro-1,4-benzoxathiin-6-yl)ethanone
CID 178137541

Frequently Asked Questions

What is the IUPAC name of 1-(7-aminodibenzo-p-dioxin-2-yl)ethanone?
The IUPAC name of 1-(7-aminodibenzo-p-dioxin-2-yl)ethanone (CID 159455740) is 1-(7-aminodibenzo-p-dioxin-2-yl)ethanone.
What is the SMILES notation for 1-(7-aminodibenzo-p-dioxin-2-yl)ethanone?
The canonical SMILES for 1-(7-aminodibenzo-p-dioxin-2-yl)ethanone is CC(=O)c1ccc2c(c1)Oc1ccc(N)cc1O2.
What is the InChIKey of 1-(7-aminodibenzo-p-dioxin-2-yl)ethanone?
The InChIKey is MRQWYQXCDOUYMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO3/c1-8(16)9-2-4-11-13(6-9)17-12-5-3-10(15)7-14(12)18-11/h2-7H,15H2,1H3.
What are the key properties of 1-(7-aminodibenzo-p-dioxin-2-yl)ethanone?
1-(7-aminodibenzo-p-dioxin-2-yl)ethanone has a molecular weight of 241.25 g/mol, XLogP of 3.37, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-aminodibenzo-p-dioxin-2-yl)ethanone is sourced from PubChem (CID 159455740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).