ethyl 2-(1,2-dimethylbenzo[e]indol-1-yl)acetate

C18H19NO2 — CID 135232507

IUPACethyl 2-(1,2-dimethylbenzo[e]indol-1-yl)acetate
SMILESCCOC(=O)CC1(C)C(C)=Nc2ccc3ccccc3c21
InChIInChI=1S/C18H19NO2/c1-4-21-16(20)11-18(3)12(2)19-15-10-9-13-7-5-6-8-14(13)17(15)18/h5-10H,4,11H2,1-3H3
InChIKeyCJMYTWWJORTFLC-UHFFFAOYSA-N
MW281.36 g/mol
LogP4.16
Rot. Bonds3

About ethyl 2-(1,2-dimethylbenzo[e]indol-1-yl)acetate

ethyl 2-(1,2-dimethylbenzo[e]indol-1-yl)acetate (PubChem CID 135232507) has the molecular formula C18H19NO2 and a molecular weight of 281.36 g/mol. Its IUPAC name is ethyl 2-(1,2-dimethylbenzo[e]indol-1-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(1,2-dimethylbenzo[e]indol-1-yl)acetate
PubChem CID135232507
Molecular FormulaC18H19NO2
Molecular Weight281.36 g/mol
Exact Mass281.14
IUPAC Nameethyl 2-(1,2-dimethylbenzo[e]indol-1-yl)acetate
SMILESCCOC(=O)CC1(C)C(C)=Nc2ccc3ccccc3c21
InChIInChI=1S/C18H19NO2/c1-4-21-16(20)11-18(3)12(2)19-15-10-9-13-7-5-6-8-14(13)17(15)18/h5-10H,4,11H2,1-3H3
InChIKeyCJMYTWWJORTFLC-UHFFFAOYSA-N
XLogP4.16
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

sodium;ethyl 2-(1,2-dimethylbenzo[e]indol-1-yl)acetate;ethyl 2-(1,2,7-trimethylbenzo[e]indol-1-yl)acetate
CID 159637671
1,1-dimethylbenzo[e]indole-2-carboxylic acid;hydrochloride
CID 69037883
ethyl acetate;phenanthrene
CID 160726264
ethyl 2-(2-benzothiophen-1-yl)acetate
CID 125467853
ethyl 3-amino-3-naphthalen-1-ylbutanoate
CID 79849159
ethyl (3S)-3-naphthalen-1-yl-3-phenylpropanoate
CID 71517486
ethyl 3-amino-3-quinolin-2-ylpropanoate
CID 64955956
ethyl chrysene-1-carboxylate
CID 86251232
triethyl benzo[f]chromene-1,1,2-tricarboxylate
CID 122404104
(2,6-dimethyl-4-phenylmethoxycarbonylphenyl) 1,1-dimethylbenzo[e]indole-2-carboxylate
CID 11619895
ethyl 2-[2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl]sulfanylacetate
CID 78760483
ethyl 3-hydroxy-3-quinolin-2-ylpropanoate
CID 59168927

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(1,2-dimethylbenzo[e]indol-1-yl)acetate?
The IUPAC name of ethyl 2-(1,2-dimethylbenzo[e]indol-1-yl)acetate (CID 135232507) is ethyl 2-(1,2-dimethylbenzo[e]indol-1-yl)acetate.
What is the SMILES notation for ethyl 2-(1,2-dimethylbenzo[e]indol-1-yl)acetate?
The canonical SMILES for ethyl 2-(1,2-dimethylbenzo[e]indol-1-yl)acetate is CCOC(=O)CC1(C)C(C)=Nc2ccc3ccccc3c21.
What is the InChIKey of ethyl 2-(1,2-dimethylbenzo[e]indol-1-yl)acetate?
The InChIKey is CJMYTWWJORTFLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO2/c1-4-21-16(20)11-18(3)12(2)19-15-10-9-13-7-5-6-8-14(13)17(15)18/h5-10H,4,11H2,1-3H3.
What are the key properties of ethyl 2-(1,2-dimethylbenzo[e]indol-1-yl)acetate?
ethyl 2-(1,2-dimethylbenzo[e]indol-1-yl)acetate has a molecular weight of 281.36 g/mol, XLogP of 4.16, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(1,2-dimethylbenzo[e]indol-1-yl)acetate is sourced from PubChem (CID 135232507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).