methyl 2-(5-methoxy-2-methyl-2,3-dihydro-1H-indol-3-yl)acetate

C13H17NO3 — CID 21449392

IUPACmethyl 2-(5-methoxy-2-methyl-2,3-dihydro-1H-indol-3-yl)acetate
SMILESCOC(=O)CC1c2cc(OC)ccc2NC1C
InChIInChI=1S/C13H17NO3/c1-8-10(7-13(15)17-3)11-6-9(16-2)4-5-12(11)14-8/h4-6,8,10,14H,7H2,1-3H3
InChIKeyALAVRIFVODNBPL-UHFFFAOYSA-N
MW235.28 g/mol
LogP2.16
Rot. Bonds3

About methyl 2-(5-methoxy-2-methyl-2,3-dihydro-1H-indol-3-yl)acetate

methyl 2-(5-methoxy-2-methyl-2,3-dihydro-1H-indol-3-yl)acetate (PubChem CID 21449392) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is methyl 2-(5-methoxy-2-methyl-2,3-dihydro-1H-indol-3-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(5-methoxy-2-methyl-2,3-dihydro-1H-indol-3-yl)acetate
PubChem CID21449392
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC Namemethyl 2-(5-methoxy-2-methyl-2,3-dihydro-1H-indol-3-yl)acetate
SMILESCOC(=O)CC1c2cc(OC)ccc2NC1C
InChIInChI=1S/C13H17NO3/c1-8-10(7-13(15)17-3)11-6-9(16-2)4-5-12(11)14-8/h4-6,8,10,14H,7H2,1-3H3
InChIKeyALAVRIFVODNBPL-UHFFFAOYSA-N
XLogP2.16
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-[2-methyl-5-(2-phenylethoxy)-2,3-dihydro-1H-indol-3-yl]acetate
CID 141320077
(2S)-2-amino-3-(5-methoxy-2-methyl-2,3-dihydro-1H-indol-3-yl)propan-1-ol
CID 167214633
(2S,3S)-5-methoxy-2,3-dimethyl-2,3-dihydro-1H-indole
CID 71486083
methyl 2-(2-amino-5-methoxy-2,3-dihydro-1H-inden-1-yl)acetate
CID 166125952
(7-methoxy-3-methyl-1,1-dioxo-3,4-dihydro-2H-1λ6,4-benzothiazin-2-yl)methanol
CID 84636572
methyl 2-[(2R,4R,5R)-5-(2-chloro-5-methoxyphenyl)-2-methyl-1,3-dioxolan-4-yl]acetate
CID 100929809
ethyl (2R,3S,4R)-6-methoxy-3-methyl-4-[(E)-prop-1-enyl]-1,2,3,4-tetrahydroquinoline-2-carboxylate
CID 102150650
methyl 2-(3-hydroxyimino-6-methoxy-1,2-dihydroinden-1-yl)acetate
CID 86650493
methyl 2-(7-methoxy-9-methyl-9H-fluoren-1-yl)acetate
CID 70633357
7-methoxy-3-methyl-1,1-dioxo-3,4-dihydro-2H-1λ6,4-benzothiazine-2-carboxylic acid
CID 84641583
ethyl 2-(7-methoxy-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl)acetate
CID 13155666
methyl 2-[(2R)-6-methoxy-3-sulfanylidene-4H-1,4-benzothiazin-2-yl]acetate
CID 40560266

Frequently Asked Questions

What is the IUPAC name of methyl 2-(5-methoxy-2-methyl-2,3-dihydro-1H-indol-3-yl)acetate?
The IUPAC name of methyl 2-(5-methoxy-2-methyl-2,3-dihydro-1H-indol-3-yl)acetate (CID 21449392) is methyl 2-(5-methoxy-2-methyl-2,3-dihydro-1H-indol-3-yl)acetate.
What is the SMILES notation for methyl 2-(5-methoxy-2-methyl-2,3-dihydro-1H-indol-3-yl)acetate?
The canonical SMILES for methyl 2-(5-methoxy-2-methyl-2,3-dihydro-1H-indol-3-yl)acetate is COC(=O)CC1c2cc(OC)ccc2NC1C.
What is the InChIKey of methyl 2-(5-methoxy-2-methyl-2,3-dihydro-1H-indol-3-yl)acetate?
The InChIKey is ALAVRIFVODNBPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3/c1-8-10(7-13(15)17-3)11-6-9(16-2)4-5-12(11)14-8/h4-6,8,10,14H,7H2,1-3H3.
What are the key properties of methyl 2-(5-methoxy-2-methyl-2,3-dihydro-1H-indol-3-yl)acetate?
methyl 2-(5-methoxy-2-methyl-2,3-dihydro-1H-indol-3-yl)acetate has a molecular weight of 235.28 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(5-methoxy-2-methyl-2,3-dihydro-1H-indol-3-yl)acetate is sourced from PubChem (CID 21449392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).