ethyl (1-methylindol-2-yl) carbonate

C12H13NO3 — CID 67809061

IUPACethyl (1-methylindol-2-yl) carbonate
SMILESCCOC(=O)Oc1cc2ccccc2n1C
InChIInChI=1S/C12H13NO3/c1-3-15-12(14)16-11-8-9-6-4-5-7-10(9)13(11)2/h4-8H,3H2,1-2H3
InChIKeyQLRIBLSRCDPSDQ-UHFFFAOYSA-N
MW219.24 g/mol
LogP2.71
Rot. Bonds2

About ethyl (1-methylindol-2-yl) carbonate

ethyl (1-methylindol-2-yl) carbonate (PubChem CID 67809061) has the molecular formula C12H13NO3 and a molecular weight of 219.24 g/mol. Its IUPAC name is ethyl (1-methylindol-2-yl) carbonate.

Molecular Properties

Compound Nameethyl (1-methylindol-2-yl) carbonate
PubChem CID67809061
Molecular FormulaC12H13NO3
Molecular Weight219.24 g/mol
Exact Mass219.09
IUPAC Nameethyl (1-methylindol-2-yl) carbonate
SMILESCCOC(=O)Oc1cc2ccccc2n1C
InChIInChI=1S/C12H13NO3/c1-3-15-12(14)16-11-8-9-6-4-5-7-10(9)13(11)2/h4-8H,3H2,1-2H3
InChIKeyQLRIBLSRCDPSDQ-UHFFFAOYSA-N
XLogP2.71
TPSA40.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(1-methylindol-2-yl) 4-chloro-3-ethylbenzoate
CID 141035515
2-(1-ethoxyethenyl)-1-methylindole
CID 143529432
diethyl 2-[1-(1-methylindol-2-yl)-2-(2-methylphenyl)-2-oxoethyl]propanedioate
CID 177492929
ethyl 2-fluoro-2-(2-methylindol-1-yl)acetate
CID 81297133
(4-ethoxycarbonyloxyfuran-3-yl) ethyl carbonate
CID 70484352
acetic acid;2-ethyl-1-methylindole
CID 70581856
ethyl (2-methyl-1-propylindol-3-yl) carbonate
CID 91188926
ethyl 2-(1-methylindol-2-yl)-1,3-thiazole-4-carboxylate
CID 131875535
methyl 1-methylindole-2-carboperoxoate
CID 140791750
ethyl (E)-4-(2-methylindol-1-yl)but-2-enoate
CID 80546121
phenyl 1-methylindole-2-carboxylate
CID 47299897
ethyl 1-[(4-methylphenyl)methyl]indole-2-carboxylate
CID 155536959

Frequently Asked Questions

What is the IUPAC name of ethyl (1-methylindol-2-yl) carbonate?
The IUPAC name of ethyl (1-methylindol-2-yl) carbonate (CID 67809061) is ethyl (1-methylindol-2-yl) carbonate.
What is the SMILES notation for ethyl (1-methylindol-2-yl) carbonate?
The canonical SMILES for ethyl (1-methylindol-2-yl) carbonate is CCOC(=O)Oc1cc2ccccc2n1C.
What is the InChIKey of ethyl (1-methylindol-2-yl) carbonate?
The InChIKey is QLRIBLSRCDPSDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO3/c1-3-15-12(14)16-11-8-9-6-4-5-7-10(9)13(11)2/h4-8H,3H2,1-2H3.
What are the key properties of ethyl (1-methylindol-2-yl) carbonate?
ethyl (1-methylindol-2-yl) carbonate has a molecular weight of 219.24 g/mol, XLogP of 2.71, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (1-methylindol-2-yl) carbonate is sourced from PubChem (CID 67809061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).