6-cyclopropyloxy-2,3-dimethyl-1H-indole

C13H15NO — CID 156561443

IUPAC6-cyclopropyloxy-2,3-dimethyl-1H-indole
SMILESCc1[nH]c2cc(OC3CC3)ccc2c1C
InChIInChI=1S/C13H15NO/c1-8-9(2)14-13-7-11(5-6-12(8)13)15-10-3-4-10/h5-7,10,14H,3-4H2,1-2H3
InChIKeyKLKFZWKXJHPDKG-UHFFFAOYSA-N
MW201.27 g/mol
LogP3.33
Rot. Bonds2

About 6-cyclopropyloxy-2,3-dimethyl-1H-indole

6-cyclopropyloxy-2,3-dimethyl-1H-indole (PubChem CID 156561443) has the molecular formula C13H15NO and a molecular weight of 201.27 g/mol. Its IUPAC name is 6-cyclopropyloxy-2,3-dimethyl-1H-indole.

Molecular Properties

Compound Name6-cyclopropyloxy-2,3-dimethyl-1H-indole
PubChem CID156561443
Molecular FormulaC13H15NO
Molecular Weight201.27 g/mol
Exact Mass201.12
IUPAC Name6-cyclopropyloxy-2,3-dimethyl-1H-indole
SMILESCc1[nH]c2cc(OC3CC3)ccc2c1C
InChIInChI=1S/C13H15NO/c1-8-9(2)14-13-7-11(5-6-12(8)13)15-10-3-4-10/h5-7,10,14H,3-4H2,1-2H3
InChIKeyKLKFZWKXJHPDKG-UHFFFAOYSA-N
XLogP3.33
TPSA25.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

4-[(3-methyl-2H-indazol-5-yl)oxy]cyclohexan-1-amine
CID 18447246
7-cyclopropyloxy-1,4-dimethylquinolin-2-one
CID 143375645
6-methoxy-3-methyl-1H-indole-2-carbaldehyde
CID 23022136
3-methyl-6-piperidin-4-yloxy-2H-indazole
CID 84694870
2,3-dimethyl-6-(piperidin-3-ylmethyl)-1H-indole
CID 117358368
4-amino-7-piperidin-4-yloxy-1H-quinazolin-2-one
CID 141113842
1-bromo-4-cyclopropyloxybenzene
CID 50998694
5-cyclopropyloxy-2-methoxy-1,3-dimethylbenzene
CID 130057399
2-(6-methoxy-2-methyl-1H-indol-3-yl)ethanol
CID 50923036
6-(1-methylpiperidin-4-yl)oxy-1H-indazol-3-amine
CID 126695915
6,15,24,33-tetracyclopentyloxy-37,38,39,40-tetrazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1(37),2,4(9),5,7,10,12(39),13(18),14,16,19,21,23,25,27,29,31(36),32,34-nonadecaene
CID 136815300
5-piperidin-4-yloxy-1,3-dihydrobenzimidazole-2-thione
CID 117209751

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyloxy-2,3-dimethyl-1H-indole?
The IUPAC name of 6-cyclopropyloxy-2,3-dimethyl-1H-indole (CID 156561443) is 6-cyclopropyloxy-2,3-dimethyl-1H-indole.
What is the SMILES notation for 6-cyclopropyloxy-2,3-dimethyl-1H-indole?
The canonical SMILES for 6-cyclopropyloxy-2,3-dimethyl-1H-indole is Cc1[nH]c2cc(OC3CC3)ccc2c1C.
What is the InChIKey of 6-cyclopropyloxy-2,3-dimethyl-1H-indole?
The InChIKey is KLKFZWKXJHPDKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO/c1-8-9(2)14-13-7-11(5-6-12(8)13)15-10-3-4-10/h5-7,10,14H,3-4H2,1-2H3.
What are the key properties of 6-cyclopropyloxy-2,3-dimethyl-1H-indole?
6-cyclopropyloxy-2,3-dimethyl-1H-indole has a molecular weight of 201.27 g/mol, XLogP of 3.33, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyloxy-2,3-dimethyl-1H-indole is sourced from PubChem (CID 156561443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).