7-methyl-3a,4-dihydro-1H-indole

C9H11N — CID 130225139

IUPAC7-methyl-3a,4-dihydro-1H-indole
SMILESCC1=C2NC=CC2CC=C1
InChIInChI=1S/C9H11N/c1-7-3-2-4-8-5-6-10-9(7)8/h2-3,5-6,8,10H,4H2,1H3
InChIKeySRHFAQCAAFNCIR-UHFFFAOYSA-N
MW133.19 g/mol
LogP1.95
Rot. Bonds

About 7-methyl-3a,4-dihydro-1H-indole

7-methyl-3a,4-dihydro-1H-indole (PubChem CID 130225139) has the molecular formula C9H11N and a molecular weight of 133.19 g/mol. Its IUPAC name is 7-methyl-3a,4-dihydro-1H-indole.

Molecular Properties

Compound Name7-methyl-3a,4-dihydro-1H-indole
PubChem CID130225139
Molecular FormulaC9H11N
Molecular Weight133.19 g/mol
Exact Mass133.09
IUPAC Name7-methyl-3a,4-dihydro-1H-indole
SMILESCC1=C2NC=CC2CC=C1
InChIInChI=1S/C9H11N/c1-7-3-2-4-8-5-6-10-9(7)8/h2-3,5-6,8,10H,4H2,1H3
InChIKeySRHFAQCAAFNCIR-UHFFFAOYSA-N
XLogP1.95
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.19
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-3a,4-dihydro-1H-indole?
The IUPAC name of 7-methyl-3a,4-dihydro-1H-indole (CID 130225139) is 7-methyl-3a,4-dihydro-1H-indole.
What is the SMILES notation for 7-methyl-3a,4-dihydro-1H-indole?
The canonical SMILES for 7-methyl-3a,4-dihydro-1H-indole is CC1=C2NC=CC2CC=C1.
What is the InChIKey of 7-methyl-3a,4-dihydro-1H-indole?
The InChIKey is SRHFAQCAAFNCIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N/c1-7-3-2-4-8-5-6-10-9(7)8/h2-3,5-6,8,10H,4H2,1H3.
What are the key properties of 7-methyl-3a,4-dihydro-1H-indole?
7-methyl-3a,4-dihydro-1H-indole has a molecular weight of 133.19 g/mol, XLogP of 1.95, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-3a,4-dihydro-1H-indole is sourced from PubChem (CID 130225139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).