7,8-dimethyl-3,6-dihydro-2H-[1,4]dioxino[2,3-f]indole

C12H13NO2 — CID 82491733

IUPAC7,8-dimethyl-3,6-dihydro-2H-[1,4]dioxino[2,3-f]indole
SMILESCc1[nH]c2cc3c(cc2c1C)OCCO3
InChIInChI=1S/C12H13NO2/c1-7-8(2)13-10-6-12-11(5-9(7)10)14-3-4-15-12/h5-6,13H,3-4H2,1-2H3
InChIKeyZKLXZNQLBHBGAC-UHFFFAOYSA-N
MW203.24 g/mol
LogP2.56
Rot. Bonds

About 7,8-dimethyl-3,6-dihydro-2H-[1,4]dioxino[2,3-f]indole

7,8-dimethyl-3,6-dihydro-2H-[1,4]dioxino[2,3-f]indole (PubChem CID 82491733) has the molecular formula C12H13NO2 and a molecular weight of 203.24 g/mol. Its IUPAC name is 7,8-dimethyl-3,6-dihydro-2H-[1,4]dioxino[2,3-f]indole.

Molecular Properties

Compound Name7,8-dimethyl-3,6-dihydro-2H-[1,4]dioxino[2,3-f]indole
PubChem CID82491733
Molecular FormulaC12H13NO2
Molecular Weight203.24 g/mol
Exact Mass203.09
IUPAC Name7,8-dimethyl-3,6-dihydro-2H-[1,4]dioxino[2,3-f]indole
SMILESCc1[nH]c2cc3c(cc2c1C)OCCO3
InChIInChI=1S/C12H13NO2/c1-7-8(2)13-10-6-12-11(5-9(7)10)14-3-4-15-12/h5-6,13H,3-4H2,1-2H3
InChIKeyZKLXZNQLBHBGAC-UHFFFAOYSA-N
XLogP2.56
TPSA34.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(7-methyl-3,6-dihydro-2H-[1,4]dioxino[2,3-f]indol-8-yl)propan-2-one
CID 82497834
8-(2-aminoethyl)-9-methyl-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one
CID 84638095
5,8,15,18,25,28-hexaoxaheptacyclo[20.8.0.02,11.04,9.012,21.014,19.024,29]triaconta-1(30),2,4(9),10,12,14(19),20,22,24(29)-nonaene
CID 20661294
7-(furan-2-yl)-8-methyl-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-9-one
CID 53338547
1,3,6,7-tetrahydro-[1,4]dioxino[2,3-f]benzimidazole-2-thione
CID 2775269
6-methyl-7-propan-2-yl-5H-[1,3]dioxolo[4,5-g]quinolin-8-one
CID 62914777
7-propyl-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-9-one
CID 43667939
4,7-dioxa-14,17-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),9,11(16)-tetraene
CID 82495080
8-methyl-6-oxo-5H-[1,3]dioxolo[4,5-g]quinoline-7-carbonitrile
CID 84625391
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
1,2,6,7-tetrahydro-[1,4]dioxino[2,3-f]indazol-3-one
CID 114589168

Frequently Asked Questions

What is the IUPAC name of 7,8-dimethyl-3,6-dihydro-2H-[1,4]dioxino[2,3-f]indole?
The IUPAC name of 7,8-dimethyl-3,6-dihydro-2H-[1,4]dioxino[2,3-f]indole (CID 82491733) is 7,8-dimethyl-3,6-dihydro-2H-[1,4]dioxino[2,3-f]indole.
What is the SMILES notation for 7,8-dimethyl-3,6-dihydro-2H-[1,4]dioxino[2,3-f]indole?
The canonical SMILES for 7,8-dimethyl-3,6-dihydro-2H-[1,4]dioxino[2,3-f]indole is Cc1[nH]c2cc3c(cc2c1C)OCCO3.
What is the InChIKey of 7,8-dimethyl-3,6-dihydro-2H-[1,4]dioxino[2,3-f]indole?
The InChIKey is ZKLXZNQLBHBGAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO2/c1-7-8(2)13-10-6-12-11(5-9(7)10)14-3-4-15-12/h5-6,13H,3-4H2,1-2H3.
What are the key properties of 7,8-dimethyl-3,6-dihydro-2H-[1,4]dioxino[2,3-f]indole?
7,8-dimethyl-3,6-dihydro-2H-[1,4]dioxino[2,3-f]indole has a molecular weight of 203.24 g/mol, XLogP of 2.56, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-dimethyl-3,6-dihydro-2H-[1,4]dioxino[2,3-f]indole is sourced from PubChem (CID 82491733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).