ethane;2-methylidene-1,3-dihydroindole

C11H15N — CID 91594681

IUPACethane;2-methylidene-1,3-dihydroindole
SMILESC=C1Cc2ccccc2N1.CC
InChIInChI=1S/C9H9N.C2H6/c1-7-6-8-4-2-3-5-9(8)10-7;1-2/h2-5,10H,1,6H2;1-2H3
InChIKeyXBRYOLUULSVSLN-UHFFFAOYSA-N
MW161.25 g/mol
LogP3.19
Rot. Bonds

About ethane;2-methylidene-1,3-dihydroindole

ethane;2-methylidene-1,3-dihydroindole (PubChem CID 91594681) has the molecular formula C11H15N and a molecular weight of 161.25 g/mol. Its IUPAC name is ethane;2-methylidene-1,3-dihydroindole.

Molecular Properties

Compound Nameethane;2-methylidene-1,3-dihydroindole
PubChem CID91594681
Molecular FormulaC11H15N
Molecular Weight161.25 g/mol
Exact Mass161.12
IUPAC Nameethane;2-methylidene-1,3-dihydroindole
SMILESC=C1Cc2ccccc2N1.CC
InChIInChI=1S/C9H9N.C2H6/c1-7-6-8-4-2-3-5-9(8)10-7;1-2/h2-5,10H,1,6H2;1-2H3
InChIKeyXBRYOLUULSVSLN-UHFFFAOYSA-N
XLogP3.19
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.25
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of ethane;2-methylidene-1,3-dihydroindole?
The IUPAC name of ethane;2-methylidene-1,3-dihydroindole (CID 91594681) is ethane;2-methylidene-1,3-dihydroindole.
What is the SMILES notation for ethane;2-methylidene-1,3-dihydroindole?
The canonical SMILES for ethane;2-methylidene-1,3-dihydroindole is C=C1Cc2ccccc2N1.CC.
What is the InChIKey of ethane;2-methylidene-1,3-dihydroindole?
The InChIKey is XBRYOLUULSVSLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N.C2H6/c1-7-6-8-4-2-3-5-9(8)10-7;1-2/h2-5,10H,1,6H2;1-2H3.
What are the key properties of ethane;2-methylidene-1,3-dihydroindole?
ethane;2-methylidene-1,3-dihydroindole has a molecular weight of 161.25 g/mol, XLogP of 3.19, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methylidene-1,3-dihydroindole is sourced from PubChem (CID 91594681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).