(2-methyloxolan-3-yl)methyl 4,6-dimethyl-1H-indole-2-carboxylate

C17H21NO3 — CID 146085229

IUPAC(2-methyloxolan-3-yl)methyl 4,6-dimethyl-1H-indole-2-carboxylate
SMILESCc1cc(C)c2cc(C(=O)OCC3CCOC3C)[nH]c2c1
InChIInChI=1S/C17H21NO3/c1-10-6-11(2)14-8-16(18-15(14)7-10)17(19)21-9-13-4-5-20-12(13)3/h6-8,12-13,18H,4-5,9H2,1-3H3
InChIKeyZQEBBBJRISKEPD-UHFFFAOYSA-N
MW287.36 g/mol
LogP3.37
Rot. Bonds3

About (2-methyloxolan-3-yl)methyl 4,6-dimethyl-1H-indole-2-carboxylate

(2-methyloxolan-3-yl)methyl 4,6-dimethyl-1H-indole-2-carboxylate (PubChem CID 146085229) has the molecular formula C17H21NO3 and a molecular weight of 287.36 g/mol. Its IUPAC name is (2-methyloxolan-3-yl)methyl 4,6-dimethyl-1H-indole-2-carboxylate.

Molecular Properties

Compound Name(2-methyloxolan-3-yl)methyl 4,6-dimethyl-1H-indole-2-carboxylate
PubChem CID146085229
Molecular FormulaC17H21NO3
Molecular Weight287.36 g/mol
Exact Mass287.15
IUPAC Name(2-methyloxolan-3-yl)methyl 4,6-dimethyl-1H-indole-2-carboxylate
SMILESCc1cc(C)c2cc(C(=O)OCC3CCOC3C)[nH]c2c1
InChIInChI=1S/C17H21NO3/c1-10-6-11(2)14-8-16(18-15(14)7-10)17(19)21-9-13-4-5-20-12(13)3/h6-8,12-13,18H,4-5,9H2,1-3H3
InChIKeyZQEBBBJRISKEPD-UHFFFAOYSA-N
XLogP3.37
TPSA51.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4,6-dimethyl-N-(oxolan-2-ylmethyl)-1H-indole-2-carboxamide
CID 46521932
2-[4-(4,6-dimethyl-1H-indole-2-carbonyl)morpholin-2-yl]acetic acid
CID 119248179
[2-(methylcarbamoylamino)-2-oxoethyl] 4,6-dimethyl-1H-indole-2-carboxylate
CID 43036133
N-[(2-hydroxycyclopentyl)methyl]-4,6-dimethyl-1H-indole-2-carboxamide
CID 111464297
[2-oxo-2-(3,4,5-trimethoxyanilino)ethyl] 4,6-dimethyl-1H-indole-2-carboxylate
CID 46663528
[2-[(4-methylphenyl)methylamino]-2-oxoethyl] 4,6-dimethyl-1H-indole-2-carboxylate
CID 55471213
(4,6-dimethyl-1H-indol-2-yl)-(4-phenylpiperidin-1-yl)methanone
CID 39581120
[2-(benzylamino)-2-oxoethyl] 4,6-dimethyl-1H-indole-2-carboxylate
CID 55471138
4-(4,6-dimethyl-1H-indole-2-carbonyl)morpholine-2-carboxylic acid
CID 119239311
(2S)-4-(4,6-dimethyl-1H-indole-2-carbonyl)morpholine-2-carboxylic acid
CID 124694567
(2R)-4-(4,6-dimethyl-1H-indole-2-carbonyl)morpholine-2-carboxylic acid
CID 124694565
[2-(4-methoxycarbonylanilino)-2-oxoethyl] 4,6-dimethyl-1H-indole-2-carboxylate
CID 43036106

Frequently Asked Questions

What is the IUPAC name of (2-methyloxolan-3-yl)methyl 4,6-dimethyl-1H-indole-2-carboxylate?
The IUPAC name of (2-methyloxolan-3-yl)methyl 4,6-dimethyl-1H-indole-2-carboxylate (CID 146085229) is (2-methyloxolan-3-yl)methyl 4,6-dimethyl-1H-indole-2-carboxylate.
What is the SMILES notation for (2-methyloxolan-3-yl)methyl 4,6-dimethyl-1H-indole-2-carboxylate?
The canonical SMILES for (2-methyloxolan-3-yl)methyl 4,6-dimethyl-1H-indole-2-carboxylate is Cc1cc(C)c2cc(C(=O)OCC3CCOC3C)[nH]c2c1.
What is the InChIKey of (2-methyloxolan-3-yl)methyl 4,6-dimethyl-1H-indole-2-carboxylate?
The InChIKey is ZQEBBBJRISKEPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO3/c1-10-6-11(2)14-8-16(18-15(14)7-10)17(19)21-9-13-4-5-20-12(13)3/h6-8,12-13,18H,4-5,9H2,1-3H3.
What are the key properties of (2-methyloxolan-3-yl)methyl 4,6-dimethyl-1H-indole-2-carboxylate?
(2-methyloxolan-3-yl)methyl 4,6-dimethyl-1H-indole-2-carboxylate has a molecular weight of 287.36 g/mol, XLogP of 3.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyloxolan-3-yl)methyl 4,6-dimethyl-1H-indole-2-carboxylate is sourced from PubChem (CID 146085229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).