3,3-dimethyl-1,2-dihydroindole

C10H13N — CID 11804912

IUPAC3,3-dimethyl-1,2-dihydroindole
SMILESCC1(C)CNc2ccccc21
InChIInChI=1S/C10H13N/c1-10(2)7-11-9-6-4-3-5-8(9)10/h3-6,11H,7H2,1-2H3
InChIKeySRCCLYMWDRNUAF-UHFFFAOYSA-N
MW147.22 g/mol
LogP2.39
Rot. Bonds

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

3,3-dimethyl-1,2-dihydroindole (PubChem CID 11804912) has the molecular formula C10H13N and a molecular weight of 147.22 g/mol. Its IUPAC name is 3,3-dimethyl-1,2-dihydroindole.

Molecular Properties

Compound Name3,3-dimethyl-1,2-dihydroindole
PubChem CID11804912
Molecular FormulaC10H13N
Molecular Weight147.22 g/mol
Exact Mass147.10
IUPAC Name3,3-dimethyl-1,2-dihydroindole
SMILESCC1(C)CNc2ccccc21
InChIInChI=1S/C10H13N/c1-10(2)7-11-9-6-4-3-5-8(9)10/h3-6,11H,7H2,1-2H3
InChIKeySRCCLYMWDRNUAF-UHFFFAOYSA-N
XLogP2.39
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.22
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1,2-dihydroindole?
The IUPAC name of 3,3-dimethyl-1,2-dihydroindole (CID 11804912) is 3,3-dimethyl-1,2-dihydroindole.
What is the SMILES notation for 3,3-dimethyl-1,2-dihydroindole?
The canonical SMILES for 3,3-dimethyl-1,2-dihydroindole is CC1(C)CNc2ccccc21.
What is the InChIKey of 3,3-dimethyl-1,2-dihydroindole?
The InChIKey is SRCCLYMWDRNUAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N/c1-10(2)7-11-9-6-4-3-5-8(9)10/h3-6,11H,7H2,1-2H3.
What are the key properties of 3,3-dimethyl-1,2-dihydroindole?
3,3-dimethyl-1,2-dihydroindole has a molecular weight of 147.22 g/mol, XLogP of 2.39, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1,2-dihydroindole is sourced from PubChem (CID 11804912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).