5,6-dimethoxy-2,3-dihydro-1H-indole

C10H13NO2 — CID 11062978

IUPAC5,6-dimethoxy-2,3-dihydro-1H-indole
SMILESCOc1cc2c(cc1OC)NCC2
InChIInChI=1S/C10H13NO2/c1-12-9-5-7-3-4-11-8(7)6-10(9)13-2/h5-6,11H,3-4H2,1-2H3
InChIKeyDPRMKYPHVPDUIH-UHFFFAOYSA-N
MW179.22 g/mol
LogP1.67
Rot. Bonds2

About 5,6-dimethoxy-2,3-dihydro-1H-indole

5,6-dimethoxy-2,3-dihydro-1H-indole (PubChem CID 11062978) has the molecular formula C10H13NO2 and a molecular weight of 179.22 g/mol. Its IUPAC name is 5,6-dimethoxy-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name5,6-dimethoxy-2,3-dihydro-1H-indole
PubChem CID11062978
Molecular FormulaC10H13NO2
Molecular Weight179.22 g/mol
Exact Mass179.09
IUPAC Name5,6-dimethoxy-2,3-dihydro-1H-indole
SMILESCOc1cc2c(cc1OC)NCC2
InChIInChI=1S/C10H13NO2/c1-12-9-5-7-3-4-11-8(7)6-10(9)13-2/h5-6,11H,3-4H2,1-2H3
InChIKeyDPRMKYPHVPDUIH-UHFFFAOYSA-N
XLogP1.67
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5,6-dimethoxy-2,3-dihydro-1H-indole?
The IUPAC name of 5,6-dimethoxy-2,3-dihydro-1H-indole (CID 11062978) is 5,6-dimethoxy-2,3-dihydro-1H-indole.
What is the SMILES notation for 5,6-dimethoxy-2,3-dihydro-1H-indole?
The canonical SMILES for 5,6-dimethoxy-2,3-dihydro-1H-indole is COc1cc2c(cc1OC)NCC2.
What is the InChIKey of 5,6-dimethoxy-2,3-dihydro-1H-indole?
The InChIKey is DPRMKYPHVPDUIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2/c1-12-9-5-7-3-4-11-8(7)6-10(9)13-2/h5-6,11H,3-4H2,1-2H3.
What are the key properties of 5,6-dimethoxy-2,3-dihydro-1H-indole?
5,6-dimethoxy-2,3-dihydro-1H-indole has a molecular weight of 179.22 g/mol, XLogP of 1.67, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethoxy-2,3-dihydro-1H-indole is sourced from PubChem (CID 11062978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).