methyl 2-[2-[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl]tetrazol-5-yl]acetate

C15H16N4O3 — CID 51103399

IUPACmethyl 2-[2-[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl]tetrazol-5-yl]acetate
SMILESCOC(=O)Cc1nnn(CC(=O)c2ccc3c(c2)CCC3)n1
InChIInChI=1S/C15H16N4O3/c1-22-15(21)8-14-16-18-19(17-14)9-13(20)12-6-5-10-3-2-4-11(10)7-12/h5-7H,2-4,8-9H2,1H3
InChIKeyZMZMFANBQFOPBU-UHFFFAOYSA-N
MW300.32 g/mol
LogP0.76
Rot. Bonds5

About methyl 2-[2-[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl]tetrazol-5-yl]acetate

methyl 2-[2-[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl]tetrazol-5-yl]acetate (PubChem CID 51103399) has the molecular formula C15H16N4O3 and a molecular weight of 300.32 g/mol. Its IUPAC name is methyl 2-[2-[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl]tetrazol-5-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[2-[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl]tetrazol-5-yl]acetate
PubChem CID51103399
Molecular FormulaC15H16N4O3
Molecular Weight300.32 g/mol
Exact Mass300.12
IUPAC Namemethyl 2-[2-[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl]tetrazol-5-yl]acetate
SMILESCOC(=O)Cc1nnn(CC(=O)c2ccc3c(c2)CCC3)n1
InChIInChI=1S/C15H16N4O3/c1-22-15(21)8-14-16-18-19(17-14)9-13(20)12-6-5-10-3-2-4-11(10)7-12/h5-7H,2-4,8-9H2,1H3
InChIKeyZMZMFANBQFOPBU-UHFFFAOYSA-N
XLogP0.76
TPSA86.97 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.32
LogP ≤ 50.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-[5-(4-bromophenyl)tetrazol-2-yl]-1-(2,3-dihydro-1H-inden-5-yl)ethanone
CID 30822735
2-[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl]-6-methoxypyridazin-3-one
CID 105061893
methyl 4-(methylamino)-5-oxo-5-(5,6,7,8-tetrahydronaphthalen-2-yl)pentanoate
CID 82347867
1-(2,3-dihydro-1H-inden-5-yl)-4-methylpentane-1,3-dione
CID 82115674
1-[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl]-3,5-dimethyl-1,3,5-triazinane-2,4,6-trione
CID 91962402
1-(2,3-dihydro-1H-inden-5-yl)-2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethanone
CID 61238347
1-(2,3-dihydro-1H-inden-5-yl)-2-pyrimidin-2-ylethanone
CID 116833026
[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl] 2-[5-(4-methylphenyl)tetrazol-2-yl]acetate
CID 8825640
3-[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl]-4,5-dimethyl-1,3-thiazol-2-one
CID 63312250
N-[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl]acetamide
CID 82113869
2-(4-ethylpiperazin-1-yl)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
CID 93191615
N-(2,3-dihydro-1H-inden-5-yl)-2-(5-pyridin-4-yltetrazol-2-yl)acetamide
CID 651056

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl]tetrazol-5-yl]acetate?
The IUPAC name of methyl 2-[2-[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl]tetrazol-5-yl]acetate (CID 51103399) is methyl 2-[2-[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl]tetrazol-5-yl]acetate.
What is the SMILES notation for methyl 2-[2-[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl]tetrazol-5-yl]acetate?
The canonical SMILES for methyl 2-[2-[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl]tetrazol-5-yl]acetate is COC(=O)Cc1nnn(CC(=O)c2ccc3c(c2)CCC3)n1.
What is the InChIKey of methyl 2-[2-[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl]tetrazol-5-yl]acetate?
The InChIKey is ZMZMFANBQFOPBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O3/c1-22-15(21)8-14-16-18-19(17-14)9-13(20)12-6-5-10-3-2-4-11(10)7-12/h5-7H,2-4,8-9H2,1H3.
What are the key properties of methyl 2-[2-[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl]tetrazol-5-yl]acetate?
methyl 2-[2-[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl]tetrazol-5-yl]acetate has a molecular weight of 300.32 g/mol, XLogP of 0.76, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl]tetrazol-5-yl]acetate is sourced from PubChem (CID 51103399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).