1-(7-methyl-3,6-dihydro-2H-[1,4]dioxino[2,3-f]indol-8-yl)propan-2-one

C14H15NO3 — CID 82497834

IUPAC1-(7-methyl-3,6-dihydro-2H-[1,4]dioxino[2,3-f]indol-8-yl)propan-2-one
SMILESCC(=O)Cc1c(C)[nH]c2cc3c(cc12)OCCO3
InChIInChI=1S/C14H15NO3/c1-8(16)5-10-9(2)15-12-7-14-13(6-11(10)12)17-3-4-18-14/h6-7,15H,3-5H2,1-2H3
InChIKeyMJHVXNAQYZFMBY-UHFFFAOYSA-N
MW245.28 g/mol
LogP2.38
Rot. Bonds2

About 1-(7-methyl-3,6-dihydro-2H-[1,4]dioxino[2,3-f]indol-8-yl)propan-2-one

1-(7-methyl-3,6-dihydro-2H-[1,4]dioxino[2,3-f]indol-8-yl)propan-2-one (PubChem CID 82497834) has the molecular formula C14H15NO3 and a molecular weight of 245.28 g/mol. Its IUPAC name is 1-(7-methyl-3,6-dihydro-2H-[1,4]dioxino[2,3-f]indol-8-yl)propan-2-one.

Molecular Properties

Compound Name1-(7-methyl-3,6-dihydro-2H-[1,4]dioxino[2,3-f]indol-8-yl)propan-2-one
PubChem CID82497834
Molecular FormulaC14H15NO3
Molecular Weight245.28 g/mol
Exact Mass245.11
IUPAC Name1-(7-methyl-3,6-dihydro-2H-[1,4]dioxino[2,3-f]indol-8-yl)propan-2-one
SMILESCC(=O)Cc1c(C)[nH]c2cc3c(cc12)OCCO3
InChIInChI=1S/C14H15NO3/c1-8(16)5-10-9(2)15-12-7-14-13(6-11(10)12)17-3-4-18-14/h6-7,15H,3-5H2,1-2H3
InChIKeyMJHVXNAQYZFMBY-UHFFFAOYSA-N
XLogP2.38
TPSA51.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Analyze 1-(7-methyl-3,6-dihydro-2H-[1,4]dioxino[2,3-f]indol-8-yl)propan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7,8-dimethyl-3,6-dihydro-2H-[1,4]dioxino[2,3-f]indole
CID 82491733
1-(6-methyl-5H-[1,3]dioxolo[4,5-f]indol-7-yl)propan-2-amine
CID 82495723
ethyl 8-chloro-3,6-dihydro-2H-[1,4]dioxino[2,3-f]indole-7-carboxylate
CID 12823093
8-(2-aminoethyl)-9-methyl-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one
CID 84638095
1-(7-chloro-6-methyl-2,3-dihydro-1,4-benzodioxin-5-yl)propan-2-one
CID 117353955
1-(5,6-dimethyl-[1,3]dioxolo[4,5-f]indol-7-yl)propan-2-one
CID 82497831
6-methyl-7-[(E)-3,7,11,15-tetramethylhexadec-2-enyl]-5H-[1,3]dioxolo[4,5-g]quinolin-8-one
CID 5376134
2-(5-bromo-2-methyl-1H-indol-3-yl)-1-(2,3-dihydro-1,4-benzoxazin-4-yl)ethanone
CID 47029756
7-propyl-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-9-one
CID 43667939
6-methyl-7-propan-2-yl-5H-[1,3]dioxolo[4,5-g]quinolin-8-one
CID 62914777
4,7-dioxa-14,17-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),9,11(16)-tetraene
CID 82495080
[2-(1,3-benzodioxol-5-yl)-2-oxoethyl] 2-(2,5-dimethyl-1H-indol-3-yl)acetate
CID 38566652

Frequently Asked Questions

What is the IUPAC name of 1-(7-methyl-3,6-dihydro-2H-[1,4]dioxino[2,3-f]indol-8-yl)propan-2-one?
The IUPAC name of 1-(7-methyl-3,6-dihydro-2H-[1,4]dioxino[2,3-f]indol-8-yl)propan-2-one (CID 82497834) is 1-(7-methyl-3,6-dihydro-2H-[1,4]dioxino[2,3-f]indol-8-yl)propan-2-one.
What is the SMILES notation for 1-(7-methyl-3,6-dihydro-2H-[1,4]dioxino[2,3-f]indol-8-yl)propan-2-one?
The canonical SMILES for 1-(7-methyl-3,6-dihydro-2H-[1,4]dioxino[2,3-f]indol-8-yl)propan-2-one is CC(=O)Cc1c(C)[nH]c2cc3c(cc12)OCCO3.
What is the InChIKey of 1-(7-methyl-3,6-dihydro-2H-[1,4]dioxino[2,3-f]indol-8-yl)propan-2-one?
The InChIKey is MJHVXNAQYZFMBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO3/c1-8(16)5-10-9(2)15-12-7-14-13(6-11(10)12)17-3-4-18-14/h6-7,15H,3-5H2,1-2H3.
What are the key properties of 1-(7-methyl-3,6-dihydro-2H-[1,4]dioxino[2,3-f]indol-8-yl)propan-2-one?
1-(7-methyl-3,6-dihydro-2H-[1,4]dioxino[2,3-f]indol-8-yl)propan-2-one has a molecular weight of 245.28 g/mol, XLogP of 2.38, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-methyl-3,6-dihydro-2H-[1,4]dioxino[2,3-f]indol-8-yl)propan-2-one is sourced from PubChem (CID 82497834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).