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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Related Compounds

5,6-Dihydroxyindoline
CID 147311
3,4-Dimethoxy-N-(4-methoxyphenyl)benzylamine
CID 784220
4,5-Dimethoxy-2-methylaniline
CID 266585
N-Phenyl-1,3-benzodioxole-5-methanamine
CID 408359
5-methoxy-2,3-dihydro-1H-indole
CID 10701974
5,6-Dimethoxyindolin-2-one
CID 222993
N-[(4-methylphenyl)methyl]-1,3-benzodioxol-5-amine
CID 784224
n,n-Dimethyl 2-(5-methoxy-2,3-dihydro-1h-indol-3-yl)ethylamine
CID 11806221
2-(6-methoxy-2,3-dihydro-1H-indol-3-yl)-N,N-dimethylethanamine
CID 44359556
N-(6-methyl-2H-1,3-benzodioxol-5-yl)acetamide
CID 71758655
3,4,5-Trimethoxy-N-(3,4,5-trimethoxybenzyl)aniline
CID 4049030
6-methoxy-2,3-dihydro-1H-indole
CID 6427549

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).