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

C10H15N — CID 170210895

IUPAC3a,7a-dimethyl-4,7-dihydro-1H-indole
SMILESCC12C=CNC1(C)CC=CC2
InChIInChI=1S/C10H15N/c1-9-5-3-4-6-10(9,2)11-8-7-9/h3-4,7-8,11H,5-6H2,1-2H3
InChIKeyHZCDTPQWMBKEQW-UHFFFAOYSA-N
MW149.24 g/mol
LogP2.22
Rot. Bonds

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

3a,7a-dimethyl-4,7-dihydro-1H-indole (PubChem CID 170210895) has the molecular formula C10H15N and a molecular weight of 149.24 g/mol. Its IUPAC name is 3a,7a-dimethyl-4,7-dihydro-1H-indole.

Molecular Properties

Compound Name3a,7a-dimethyl-4,7-dihydro-1H-indole
PubChem CID170210895
Molecular FormulaC10H15N
Molecular Weight149.24 g/mol
Exact Mass149.12
IUPAC Name3a,7a-dimethyl-4,7-dihydro-1H-indole
SMILESCC12C=CNC1(C)CC=CC2
InChIInChI=1S/C10H15N/c1-9-5-3-4-6-10(9,2)11-8-7-9/h3-4,7-8,11H,5-6H2,1-2H3
InChIKeyHZCDTPQWMBKEQW-UHFFFAOYSA-N
XLogP2.22
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.24
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3a,7a-dimethyl-4,7-dihydro-1H-indole?
The IUPAC name of 3a,7a-dimethyl-4,7-dihydro-1H-indole (CID 170210895) is 3a,7a-dimethyl-4,7-dihydro-1H-indole.
What is the SMILES notation for 3a,7a-dimethyl-4,7-dihydro-1H-indole?
The canonical SMILES for 3a,7a-dimethyl-4,7-dihydro-1H-indole is CC12C=CNC1(C)CC=CC2.
What is the InChIKey of 3a,7a-dimethyl-4,7-dihydro-1H-indole?
The InChIKey is HZCDTPQWMBKEQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N/c1-9-5-3-4-6-10(9,2)11-8-7-9/h3-4,7-8,11H,5-6H2,1-2H3.
What are the key properties of 3a,7a-dimethyl-4,7-dihydro-1H-indole?
3a,7a-dimethyl-4,7-dihydro-1H-indole has a molecular weight of 149.24 g/mol, XLogP of 2.22, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3a,7a-dimethyl-4,7-dihydro-1H-indole is sourced from PubChem (CID 170210895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).