2,5-dimethyl-4,5-dihydro-3H-indole

C10H13N — CID 162195264

IUPAC2,5-dimethyl-4,5-dihydro-3H-indole
SMILESCC1=NC2=C(C1)CC(C)C=C2
InChIInChI=1S/C10H13N/c1-7-3-4-10-9(5-7)6-8(2)11-10/h3-4,7H,5-6H2,1-2H3
InChIKeyZBSLWHUFYLJEPR-UHFFFAOYSA-N
MW147.22 g/mol
LogP2.70
Rot. Bonds

About 2,5-dimethyl-4,5-dihydro-3H-indole

2,5-dimethyl-4,5-dihydro-3H-indole (PubChem CID 162195264) has the molecular formula C10H13N and a molecular weight of 147.22 g/mol. Its IUPAC name is 2,5-dimethyl-4,5-dihydro-3H-indole.

Molecular Properties

Compound Name2,5-dimethyl-4,5-dihydro-3H-indole
PubChem CID162195264
Molecular FormulaC10H13N
Molecular Weight147.22 g/mol
Exact Mass147.10
IUPAC Name2,5-dimethyl-4,5-dihydro-3H-indole
SMILESCC1=NC2=C(C1)CC(C)C=C2
InChIInChI=1S/C10H13N/c1-7-3-4-10-9(5-7)6-8(2)11-10/h3-4,7H,5-6H2,1-2H3
InChIKeyZBSLWHUFYLJEPR-UHFFFAOYSA-N
XLogP2.70
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.22
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-4,5-dihydro-3H-indole?
The IUPAC name of 2,5-dimethyl-4,5-dihydro-3H-indole (CID 162195264) is 2,5-dimethyl-4,5-dihydro-3H-indole.
What is the SMILES notation for 2,5-dimethyl-4,5-dihydro-3H-indole?
The canonical SMILES for 2,5-dimethyl-4,5-dihydro-3H-indole is CC1=NC2=C(C1)CC(C)C=C2.
What is the InChIKey of 2,5-dimethyl-4,5-dihydro-3H-indole?
The InChIKey is ZBSLWHUFYLJEPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N/c1-7-3-4-10-9(5-7)6-8(2)11-10/h3-4,7H,5-6H2,1-2H3.
What are the key properties of 2,5-dimethyl-4,5-dihydro-3H-indole?
2,5-dimethyl-4,5-dihydro-3H-indole has a molecular weight of 147.22 g/mol, XLogP of 2.70, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-4,5-dihydro-3H-indole is sourced from PubChem (CID 162195264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).