ethane;9-methyl-3,7-dihydro-2H-[1,4]dioxino[2,3-e]indole

C13H17NO2 — CID 145326203

IUPACethane;9-methyl-3,7-dihydro-2H-[1,4]dioxino[2,3-e]indole
SMILESCC.Cc1c[nH]c2ccc3c(c12)OCCO3
InChIInChI=1S/C11H11NO2.C2H6/c1-7-6-12-8-2-3-9-11(10(7)8)14-5-4-13-9;1-2/h2-3,6,12H,4-5H2,1H3;1-2H3
InChIKeyQCXNNLYFOXVSKS-UHFFFAOYSA-N
MW219.28 g/mol
LogP3.27
Rot. Bonds

About ethane;9-methyl-3,7-dihydro-2H-[1,4]dioxino[2,3-e]indole

ethane;9-methyl-3,7-dihydro-2H-[1,4]dioxino[2,3-e]indole (PubChem CID 145326203) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is ethane;9-methyl-3,7-dihydro-2H-[1,4]dioxino[2,3-e]indole.

Molecular Properties

Compound Nameethane;9-methyl-3,7-dihydro-2H-[1,4]dioxino[2,3-e]indole
PubChem CID145326203
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Nameethane;9-methyl-3,7-dihydro-2H-[1,4]dioxino[2,3-e]indole
SMILESCC.Cc1c[nH]c2ccc3c(c12)OCCO3
InChIInChI=1S/C11H11NO2.C2H6/c1-7-6-12-8-2-3-9-11(10(7)8)14-5-4-13-9;1-2/h2-3,6,12H,4-5H2,1H3;1-2H3
InChIKeyQCXNNLYFOXVSKS-UHFFFAOYSA-N
XLogP3.27
TPSA34.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,7-dihydro-2H-[1,4]dioxino[2,3-e]indole-9-carboxylic acid;ethane
CID 144996582
3,4-dimethyl-1H-indole;ethane
CID 143293593
3,6,9,12-tetraoxatricyclo[6.4.2.02,7]tetradeca-1,7,13-triene
CID 54006719
4-chloro-3-methyl-1H-pyrrolo[3,2-c]pyridine;ethane
CID 145441164
4-iodo-3-methyl-1H-indole
CID 126755505
ethane;1-methyl-3,6,7,8-tetrahydrocyclopenta[e]indole
CID 145326202
N,N,3-trimethyl-1H-indol-4-amine
CID 71336754
1-(6-methyl-2,3-dihydro-1,4-benzodioxin-5-yl)cyclopropan-1-amine
CID 117293465
1-(6-methyl-2,3-dihydro-1,4-benzodioxin-5-yl)cyclopropan-1-ol
CID 117294683
2,6-dihydro-1H-furo[3,2-e]indol-8-amine
CID 82411466
4-bromo-3-methyl-1H-indole
CID 52987704
N-methyl-1-(5-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)methanamine
CID 84664778

Frequently Asked Questions

What is the IUPAC name of ethane;9-methyl-3,7-dihydro-2H-[1,4]dioxino[2,3-e]indole?
The IUPAC name of ethane;9-methyl-3,7-dihydro-2H-[1,4]dioxino[2,3-e]indole (CID 145326203) is ethane;9-methyl-3,7-dihydro-2H-[1,4]dioxino[2,3-e]indole.
What is the SMILES notation for ethane;9-methyl-3,7-dihydro-2H-[1,4]dioxino[2,3-e]indole?
The canonical SMILES for ethane;9-methyl-3,7-dihydro-2H-[1,4]dioxino[2,3-e]indole is CC.Cc1c[nH]c2ccc3c(c12)OCCO3.
What is the InChIKey of ethane;9-methyl-3,7-dihydro-2H-[1,4]dioxino[2,3-e]indole?
The InChIKey is QCXNNLYFOXVSKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO2.C2H6/c1-7-6-12-8-2-3-9-11(10(7)8)14-5-4-13-9;1-2/h2-3,6,12H,4-5H2,1H3;1-2H3.
What are the key properties of ethane;9-methyl-3,7-dihydro-2H-[1,4]dioxino[2,3-e]indole?
ethane;9-methyl-3,7-dihydro-2H-[1,4]dioxino[2,3-e]indole has a molecular weight of 219.28 g/mol, XLogP of 3.27, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;9-methyl-3,7-dihydro-2H-[1,4]dioxino[2,3-e]indole is sourced from PubChem (CID 145326203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).