1,7-dimethyl-2,3,6,7-tetrahydroindole

C10H15N — CID 88989613

IUPAC1,7-dimethyl-2,3,6,7-tetrahydroindole
SMILESCC1CC=CC2=C1N(C)CC2
InChIInChI=1S/C10H15N/c1-8-4-3-5-9-6-7-11(2)10(8)9/h3,5,8H,4,6-7H2,1-2H3
InChIKeyYBBWUSAOPJOMCO-UHFFFAOYSA-N
MW149.24 g/mol
LogP2.17
Rot. Bonds

About 1,7-dimethyl-2,3,6,7-tetrahydroindole

1,7-dimethyl-2,3,6,7-tetrahydroindole (PubChem CID 88989613) has the molecular formula C10H15N and a molecular weight of 149.24 g/mol. Its IUPAC name is 1,7-dimethyl-2,3,6,7-tetrahydroindole.

Molecular Properties

Compound Name1,7-dimethyl-2,3,6,7-tetrahydroindole
PubChem CID88989613
Molecular FormulaC10H15N
Molecular Weight149.24 g/mol
Exact Mass149.12
IUPAC Name1,7-dimethyl-2,3,6,7-tetrahydroindole
SMILESCC1CC=CC2=C1N(C)CC2
InChIInChI=1S/C10H15N/c1-8-4-3-5-9-6-7-11(2)10(8)9/h3,5,8H,4,6-7H2,1-2H3
InChIKeyYBBWUSAOPJOMCO-UHFFFAOYSA-N
XLogP2.17
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.24
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,7-dimethyl-2,3,6,7-tetrahydroindole?
The IUPAC name of 1,7-dimethyl-2,3,6,7-tetrahydroindole (CID 88989613) is 1,7-dimethyl-2,3,6,7-tetrahydroindole.
What is the SMILES notation for 1,7-dimethyl-2,3,6,7-tetrahydroindole?
The canonical SMILES for 1,7-dimethyl-2,3,6,7-tetrahydroindole is CC1CC=CC2=C1N(C)CC2.
What is the InChIKey of 1,7-dimethyl-2,3,6,7-tetrahydroindole?
The InChIKey is YBBWUSAOPJOMCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N/c1-8-4-3-5-9-6-7-11(2)10(8)9/h3,5,8H,4,6-7H2,1-2H3.
What are the key properties of 1,7-dimethyl-2,3,6,7-tetrahydroindole?
1,7-dimethyl-2,3,6,7-tetrahydroindole has a molecular weight of 149.24 g/mol, XLogP of 2.17, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,7-dimethyl-2,3,6,7-tetrahydroindole is sourced from PubChem (CID 88989613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).