ethyl (2-methyl-1-propylindol-3-yl) carbonate

C15H19NO3 — CID 91188926

IUPACethyl (2-methyl-1-propylindol-3-yl) carbonate
SMILESCCCn1c(C)c(OC(=O)OCC)c2ccccc21
InChIInChI=1S/C15H19NO3/c1-4-10-16-11(3)14(19-15(17)18-5-2)12-8-6-7-9-13(12)16/h6-9H,4-5,10H2,1-3H3
InChIKeyMDFNVQDKLNVYFW-UHFFFAOYSA-N
MW261.32 g/mol
LogP3.90
Rot. Bonds4

About ethyl (2-methyl-1-propylindol-3-yl) carbonate

ethyl (2-methyl-1-propylindol-3-yl) carbonate (PubChem CID 91188926) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is ethyl (2-methyl-1-propylindol-3-yl) carbonate.

Molecular Properties

Compound Nameethyl (2-methyl-1-propylindol-3-yl) carbonate
PubChem CID91188926
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Nameethyl (2-methyl-1-propylindol-3-yl) carbonate
SMILESCCCn1c(C)c(OC(=O)OCC)c2ccccc21
InChIInChI=1S/C15H19NO3/c1-4-10-16-11(3)14(19-15(17)18-5-2)12-8-6-7-9-13(12)16/h6-9H,4-5,10H2,1-3H3
InChIKeyMDFNVQDKLNVYFW-UHFFFAOYSA-N
XLogP3.90
TPSA40.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl (5-hydroxy-2-methyl-1-propylindol-3-yl) carbonate
CID 70006863
(2-methyl-1-propylindol-3-yl)methanol
CID 91556176
(4-ethoxycarbonyloxy-2,3-dimethoxynaphthalen-1-yl) ethyl carbonate
CID 14302873
3-methoxy-1-propylindole-2-carboxylic acid
CID 154108725
(4-methylnaphthalen-1-yl)-(2-methyl-1-propylindol-3-yl)methanone
CID 45267819
1-(2-chloro-1-propylindol-3-yl)ethanone
CID 82268364
ethyl (1-methylindol-2-yl) carbonate
CID 67809061
ethyl (1-methyl-3-tetradecanoylindol-2-yl) carbonate
CID 67808820
[2-(2,5-dimethyl-1-propylpyrrol-3-yl)-2-oxoethyl] 2-(9-oxoacridin-10-yl)acetate
CID 46567433
3-acetyl-4-hydroxy-1-propylquinolin-2-one
CID 54711259
ethyl 1-(2-bromoethyl)-3-methoxyindole-2-carboxylate
CID 10806019
(2-methyl-1-undecylindol-3-yl)-phenylmethanone
CID 70525759

Frequently Asked Questions

What is the IUPAC name of ethyl (2-methyl-1-propylindol-3-yl) carbonate?
The IUPAC name of ethyl (2-methyl-1-propylindol-3-yl) carbonate (CID 91188926) is ethyl (2-methyl-1-propylindol-3-yl) carbonate.
What is the SMILES notation for ethyl (2-methyl-1-propylindol-3-yl) carbonate?
The canonical SMILES for ethyl (2-methyl-1-propylindol-3-yl) carbonate is CCCn1c(C)c(OC(=O)OCC)c2ccccc21.
What is the InChIKey of ethyl (2-methyl-1-propylindol-3-yl) carbonate?
The InChIKey is MDFNVQDKLNVYFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3/c1-4-10-16-11(3)14(19-15(17)18-5-2)12-8-6-7-9-13(12)16/h6-9H,4-5,10H2,1-3H3.
What are the key properties of ethyl (2-methyl-1-propylindol-3-yl) carbonate?
ethyl (2-methyl-1-propylindol-3-yl) carbonate has a molecular weight of 261.32 g/mol, XLogP of 3.90, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2-methyl-1-propylindol-3-yl) carbonate is sourced from PubChem (CID 91188926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).