2,3-dimethyl-3a,7a-dihydro-1H-indole

C10H13N — CID 18629414

IUPAC2,3-dimethyl-3a,7a-dihydro-1H-indole
SMILESCC1=C(C)C2C=CC=CC2N1
InChIInChI=1S/C10H13N/c1-7-8(2)11-10-6-4-3-5-9(7)10/h3-6,9-11H,1-2H3
InChIKeyFFMZRELHKUFANR-UHFFFAOYSA-N
MW147.22 g/mol
LogP1.99
Rot. Bonds

About 2,3-dimethyl-3a,7a-dihydro-1H-indole

2,3-dimethyl-3a,7a-dihydro-1H-indole (PubChem CID 18629414) has the molecular formula C10H13N and a molecular weight of 147.22 g/mol. Its IUPAC name is 2,3-dimethyl-3a,7a-dihydro-1H-indole.

Molecular Properties

Compound Name2,3-dimethyl-3a,7a-dihydro-1H-indole
PubChem CID18629414
Molecular FormulaC10H13N
Molecular Weight147.22 g/mol
Exact Mass147.10
IUPAC Name2,3-dimethyl-3a,7a-dihydro-1H-indole
SMILESCC1=C(C)C2C=CC=CC2N1
InChIInChI=1S/C10H13N/c1-7-8(2)11-10-6-4-3-5-9(7)10/h3-6,9-11H,1-2H3
InChIKeyFFMZRELHKUFANR-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 2,3-dimethyl-3a,7a-dihydro-1H-indole?
The IUPAC name of 2,3-dimethyl-3a,7a-dihydro-1H-indole (CID 18629414) is 2,3-dimethyl-3a,7a-dihydro-1H-indole.
What is the SMILES notation for 2,3-dimethyl-3a,7a-dihydro-1H-indole?
The canonical SMILES for 2,3-dimethyl-3a,7a-dihydro-1H-indole is CC1=C(C)C2C=CC=CC2N1.
What is the InChIKey of 2,3-dimethyl-3a,7a-dihydro-1H-indole?
The InChIKey is FFMZRELHKUFANR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N/c1-7-8(2)11-10-6-4-3-5-9(7)10/h3-6,9-11H,1-2H3.
What are the key properties of 2,3-dimethyl-3a,7a-dihydro-1H-indole?
2,3-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 2,3-dimethyl-3a,7a-dihydro-1H-indole is sourced from PubChem (CID 18629414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).