1,3-dimethyl-2,3,4,5-tetrahydroindole

C10H15N — CID 129044202

IUPAC1,3-dimethyl-2,3,4,5-tetrahydroindole
SMILESCC1CN(C)C2=C1CCC=C2
InChIInChI=1S/C10H15N/c1-8-7-11(2)10-6-4-3-5-9(8)10/h4,6,8H,3,5,7H2,1-2H3
InChIKeyIPBSLCRCWFIOSC-UHFFFAOYSA-N
MW149.24 g/mol
LogP2.17
Rot. Bonds

About 1,3-dimethyl-2,3,4,5-tetrahydroindole

1,3-dimethyl-2,3,4,5-tetrahydroindole (PubChem CID 129044202) has the molecular formula C10H15N and a molecular weight of 149.24 g/mol. Its IUPAC name is 1,3-dimethyl-2,3,4,5-tetrahydroindole.

Molecular Properties

Compound Name1,3-dimethyl-2,3,4,5-tetrahydroindole
PubChem CID129044202
Molecular FormulaC10H15N
Molecular Weight149.24 g/mol
Exact Mass149.12
IUPAC Name1,3-dimethyl-2,3,4,5-tetrahydroindole
SMILESCC1CN(C)C2=C1CCC=C2
InChIInChI=1S/C10H15N/c1-8-7-11(2)10-6-4-3-5-9(8)10/h4,6,8H,3,5,7H2,1-2H3
InChIKeyIPBSLCRCWFIOSC-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 1,3-dimethyl-2,3,4,5-tetrahydroindole?
The IUPAC name of 1,3-dimethyl-2,3,4,5-tetrahydroindole (CID 129044202) is 1,3-dimethyl-2,3,4,5-tetrahydroindole.
What is the SMILES notation for 1,3-dimethyl-2,3,4,5-tetrahydroindole?
The canonical SMILES for 1,3-dimethyl-2,3,4,5-tetrahydroindole is CC1CN(C)C2=C1CCC=C2.
What is the InChIKey of 1,3-dimethyl-2,3,4,5-tetrahydroindole?
The InChIKey is IPBSLCRCWFIOSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N/c1-8-7-11(2)10-6-4-3-5-9(8)10/h4,6,8H,3,5,7H2,1-2H3.
What are the key properties of 1,3-dimethyl-2,3,4,5-tetrahydroindole?
1,3-dimethyl-2,3,4,5-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 1,3-dimethyl-2,3,4,5-tetrahydroindole is sourced from PubChem (CID 129044202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).