3,7-dimethyl-3a,7a-dihydro-1H-indole

C10H13N — CID 20812297

IUPAC3,7-dimethyl-3a,7a-dihydro-1H-indole
SMILESCC1=CNC2C(C)=CC=CC12
InChIInChI=1S/C10H13N/c1-7-4-3-5-9-8(2)6-11-10(7)9/h3-6,9-11H,1-2H3
InChIKeyYHUKHWPQSUNEMN-UHFFFAOYSA-N
MW147.22 g/mol
LogP1.99
Rot. Bonds

About 3,7-dimethyl-3a,7a-dihydro-1H-indole

3,7-dimethyl-3a,7a-dihydro-1H-indole (PubChem CID 20812297) has the molecular formula C10H13N and a molecular weight of 147.22 g/mol. Its IUPAC name is 3,7-dimethyl-3a,7a-dihydro-1H-indole.

Molecular Properties

Compound Name3,7-dimethyl-3a,7a-dihydro-1H-indole
PubChem CID20812297
Molecular FormulaC10H13N
Molecular Weight147.22 g/mol
Exact Mass147.10
IUPAC Name3,7-dimethyl-3a,7a-dihydro-1H-indole
SMILESCC1=CNC2C(C)=CC=CC12
InChIInChI=1S/C10H13N/c1-7-4-3-5-9-8(2)6-11-10(7)9/h3-6,9-11H,1-2H3
InChIKeyYHUKHWPQSUNEMN-UHFFFAOYSA-N
XLogP1.99
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 ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,7-dimethyl-3a,7a-dihydro-1H-indole?
The IUPAC name of 3,7-dimethyl-3a,7a-dihydro-1H-indole (CID 20812297) is 3,7-dimethyl-3a,7a-dihydro-1H-indole.
What is the SMILES notation for 3,7-dimethyl-3a,7a-dihydro-1H-indole?
The canonical SMILES for 3,7-dimethyl-3a,7a-dihydro-1H-indole is CC1=CNC2C(C)=CC=CC12.
What is the InChIKey of 3,7-dimethyl-3a,7a-dihydro-1H-indole?
The InChIKey is YHUKHWPQSUNEMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N/c1-7-4-3-5-9-8(2)6-11-10(7)9/h3-6,9-11H,1-2H3.
What are the key properties of 3,7-dimethyl-3a,7a-dihydro-1H-indole?
3,7-dimethyl-3a,7a-dihydro-1H-indole has a molecular weight of 147.22 g/mol, XLogP of 1.99, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-dimethyl-3a,7a-dihydro-1H-indole is sourced from PubChem (CID 20812297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).