1,2-dimethyl-3a,7a-dihydroindole

C10H13N — CID 20647144

IUPAC1,2-dimethyl-3a,7a-dihydroindole
SMILESCC1=CC2C=CC=CC2N1C
InChIInChI=1S/C10H13N/c1-8-7-9-5-3-4-6-10(9)11(8)2/h3-7,9-10H,1-2H3
InChIKeyUTNHSIYPTSYLMV-UHFFFAOYSA-N
MW147.22 g/mol
LogP1.95
Rot. Bonds

About 1,2-dimethyl-3a,7a-dihydroindole

1,2-dimethyl-3a,7a-dihydroindole (PubChem CID 20647144) has the molecular formula C10H13N and a molecular weight of 147.22 g/mol. Its IUPAC name is 1,2-dimethyl-3a,7a-dihydroindole.

Molecular Properties

Compound Name1,2-dimethyl-3a,7a-dihydroindole
PubChem CID20647144
Molecular FormulaC10H13N
Molecular Weight147.22 g/mol
Exact Mass147.10
IUPAC Name1,2-dimethyl-3a,7a-dihydroindole
SMILESCC1=CC2C=CC=CC2N1C
InChIInChI=1S/C10H13N/c1-8-7-9-5-3-4-6-10(9)11(8)2/h3-7,9-10H,1-2H3
InChIKeyUTNHSIYPTSYLMV-UHFFFAOYSA-N
XLogP1.95
TPSA3.24 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 ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-3a,7a-dihydroindole?
The IUPAC name of 1,2-dimethyl-3a,7a-dihydroindole (CID 20647144) is 1,2-dimethyl-3a,7a-dihydroindole.
What is the SMILES notation for 1,2-dimethyl-3a,7a-dihydroindole?
The canonical SMILES for 1,2-dimethyl-3a,7a-dihydroindole is CC1=CC2C=CC=CC2N1C.
What is the InChIKey of 1,2-dimethyl-3a,7a-dihydroindole?
The InChIKey is UTNHSIYPTSYLMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N/c1-8-7-9-5-3-4-6-10(9)11(8)2/h3-7,9-10H,1-2H3.
What are the key properties of 1,2-dimethyl-3a,7a-dihydroindole?
1,2-dimethyl-3a,7a-dihydroindole has a molecular weight of 147.22 g/mol, XLogP of 1.95, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-3a,7a-dihydroindole is sourced from PubChem (CID 20647144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).