1,5-dimethyl-2,3,3a,7a-tetrahydroindole

C10H15N — CID 18682721

IUPAC1,5-dimethyl-2,3,3a,7a-tetrahydroindole
SMILESCC1=CC2CCN(C)C2C=C1
InChIInChI=1S/C10H15N/c1-8-3-4-10-9(7-8)5-6-11(10)2/h3-4,7,9-10H,5-6H2,1-2H3
InChIKeyKACAHFFNRRVYCQ-UHFFFAOYSA-N
MW149.24 g/mol
LogP1.82
Rot. Bonds

About 1,5-dimethyl-2,3,3a,7a-tetrahydroindole

1,5-dimethyl-2,3,3a,7a-tetrahydroindole (PubChem CID 18682721) has the molecular formula C10H15N and a molecular weight of 149.24 g/mol. Its IUPAC name is 1,5-dimethyl-2,3,3a,7a-tetrahydroindole.

Molecular Properties

Compound Name1,5-dimethyl-2,3,3a,7a-tetrahydroindole
PubChem CID18682721
Molecular FormulaC10H15N
Molecular Weight149.24 g/mol
Exact Mass149.12
IUPAC Name1,5-dimethyl-2,3,3a,7a-tetrahydroindole
SMILESCC1=CC2CCN(C)C2C=C1
InChIInChI=1S/C10H15N/c1-8-3-4-10-9(7-8)5-6-11(10)2/h3-4,7,9-10H,5-6H2,1-2H3
InChIKeyKACAHFFNRRVYCQ-UHFFFAOYSA-N
XLogP1.82
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.24
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-2,3,3a,7a-tetrahydroindole?
The IUPAC name of 1,5-dimethyl-2,3,3a,7a-tetrahydroindole (CID 18682721) is 1,5-dimethyl-2,3,3a,7a-tetrahydroindole.
What is the SMILES notation for 1,5-dimethyl-2,3,3a,7a-tetrahydroindole?
The canonical SMILES for 1,5-dimethyl-2,3,3a,7a-tetrahydroindole is CC1=CC2CCN(C)C2C=C1.
What is the InChIKey of 1,5-dimethyl-2,3,3a,7a-tetrahydroindole?
The InChIKey is KACAHFFNRRVYCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N/c1-8-3-4-10-9(7-8)5-6-11(10)2/h3-4,7,9-10H,5-6H2,1-2H3.
What are the key properties of 1,5-dimethyl-2,3,3a,7a-tetrahydroindole?
1,5-dimethyl-2,3,3a,7a-tetrahydroindole has a molecular weight of 149.24 g/mol, XLogP of 1.82, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-2,3,3a,7a-tetrahydroindole is sourced from PubChem (CID 18682721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).