ethane;3-methyl-5,6-dihydro-1H-indole

C15H29N — CID 154680136

IUPACethane;3-methyl-5,6-dihydro-1H-indole
SMILESCC.CC.CC.Cc1c[nH]c2c1=CCCC=2
InChIInChI=1S/C9H11N.3C2H6/c1-7-6-10-9-5-3-2-4-8(7)9;3*1-2/h4-6,10H,2-3H2,1H3;3*1-2H3
InChIKeyQXTRBDULGNNXKZ-UHFFFAOYSA-N
MW223.40 g/mol
LogP3.76
Rot. Bonds

About ethane;3-methyl-5,6-dihydro-1H-indole

ethane;3-methyl-5,6-dihydro-1H-indole (PubChem CID 154680136) has the molecular formula C15H29N and a molecular weight of 223.40 g/mol. Its IUPAC name is ethane;3-methyl-5,6-dihydro-1H-indole.

Molecular Properties

Compound Nameethane;3-methyl-5,6-dihydro-1H-indole
PubChem CID154680136
Molecular FormulaC15H29N
Molecular Weight223.40 g/mol
Exact Mass223.23
IUPAC Nameethane;3-methyl-5,6-dihydro-1H-indole
SMILESCC.CC.CC.Cc1c[nH]c2c1=CCCC=2
InChIInChI=1S/C9H11N.3C2H6/c1-7-6-10-9-5-3-2-4-8(7)9;3*1-2/h4-6,10H,2-3H2,1H3;3*1-2H3
InChIKeyQXTRBDULGNNXKZ-UHFFFAOYSA-N
XLogP3.76
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.40
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of ethane;3-methyl-5,6-dihydro-1H-indole?
The IUPAC name of ethane;3-methyl-5,6-dihydro-1H-indole (CID 154680136) is ethane;3-methyl-5,6-dihydro-1H-indole.
What is the SMILES notation for ethane;3-methyl-5,6-dihydro-1H-indole?
The canonical SMILES for ethane;3-methyl-5,6-dihydro-1H-indole is CC.CC.CC.Cc1c[nH]c2c1=CCCC=2.
What is the InChIKey of ethane;3-methyl-5,6-dihydro-1H-indole?
The InChIKey is QXTRBDULGNNXKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N.3C2H6/c1-7-6-10-9-5-3-2-4-8(7)9;3*1-2/h4-6,10H,2-3H2,1H3;3*1-2H3.
What are the key properties of ethane;3-methyl-5,6-dihydro-1H-indole?
ethane;3-methyl-5,6-dihydro-1H-indole has a molecular weight of 223.40 g/mol, XLogP of 3.76, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-methyl-5,6-dihydro-1H-indole is sourced from PubChem (CID 154680136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).