7,7-dimethyl-5,6-dihydroindole

C10H13N — CID 150535267

IUPAC7,7-dimethyl-5,6-dihydroindole
SMILESCC1(C)CCC=C2C=CN=C21
InChIInChI=1S/C10H13N/c1-10(2)6-3-4-8-5-7-11-9(8)10/h4-5,7H,3,6H2,1-2H3
InChIKeyIERYYSBOCXACIO-UHFFFAOYSA-N
MW147.22 g/mol
LogP2.70
Rot. Bonds

About 7,7-dimethyl-5,6-dihydroindole

7,7-dimethyl-5,6-dihydroindole (PubChem CID 150535267) has the molecular formula C10H13N and a molecular weight of 147.22 g/mol. Its IUPAC name is 7,7-dimethyl-5,6-dihydroindole.

Molecular Properties

Compound Name7,7-dimethyl-5,6-dihydroindole
PubChem CID150535267
Molecular FormulaC10H13N
Molecular Weight147.22 g/mol
Exact Mass147.10
IUPAC Name7,7-dimethyl-5,6-dihydroindole
SMILESCC1(C)CCC=C2C=CN=C21
InChIInChI=1S/C10H13N/c1-10(2)6-3-4-8-5-7-11-9(8)10/h4-5,7H,3,6H2,1-2H3
InChIKeyIERYYSBOCXACIO-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 7,7-dimethyl-5,6-dihydroindole?
The IUPAC name of 7,7-dimethyl-5,6-dihydroindole (CID 150535267) is 7,7-dimethyl-5,6-dihydroindole.
What is the SMILES notation for 7,7-dimethyl-5,6-dihydroindole?
The canonical SMILES for 7,7-dimethyl-5,6-dihydroindole is CC1(C)CCC=C2C=CN=C21.
What is the InChIKey of 7,7-dimethyl-5,6-dihydroindole?
The InChIKey is IERYYSBOCXACIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N/c1-10(2)6-3-4-8-5-7-11-9(8)10/h4-5,7H,3,6H2,1-2H3.
What are the key properties of 7,7-dimethyl-5,6-dihydroindole?
7,7-dimethyl-5,6-dihydroindole 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 7,7-dimethyl-5,6-dihydroindole is sourced from PubChem (CID 150535267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).