2,3-dihydro-1H-inden-5-yl 5-(ethylamino)-5-oxopentanoate

C16H21NO3 — CID 71988360

IUPAC2,3-dihydro-1H-inden-5-yl 5-(ethylamino)-5-oxopentanoate
SMILESCCNC(=O)CCCC(=O)Oc1ccc2c(c1)CCC2
InChIInChI=1S/C16H21NO3/c1-2-17-15(18)7-4-8-16(19)20-14-10-9-12-5-3-6-13(12)11-14/h9-11H,2-8H2,1H3,(H,17,18)
InChIKeyVYEZUDFNZSSOKI-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.39
Rot. Bonds6

About 2,3-dihydro-1H-inden-5-yl 5-(ethylamino)-5-oxopentanoate

2,3-dihydro-1H-inden-5-yl 5-(ethylamino)-5-oxopentanoate (PubChem CID 71988360) has the molecular formula C16H21NO3 and a molecular weight of 275.35 g/mol. Its IUPAC name is 2,3-dihydro-1H-inden-5-yl 5-(ethylamino)-5-oxopentanoate.

Molecular Properties

Compound Name2,3-dihydro-1H-inden-5-yl 5-(ethylamino)-5-oxopentanoate
PubChem CID71988360
Molecular FormulaC16H21NO3
Molecular Weight275.35 g/mol
Exact Mass275.15
IUPAC Name2,3-dihydro-1H-inden-5-yl 5-(ethylamino)-5-oxopentanoate
SMILESCCNC(=O)CCCC(=O)Oc1ccc2c(c1)CCC2
InChIInChI=1S/C16H21NO3/c1-2-17-15(18)7-4-8-16(19)20-14-10-9-12-5-3-6-13(12)11-14/h9-11H,2-8H2,1H3,(H,17,18)
InChIKeyVYEZUDFNZSSOKI-UHFFFAOYSA-N
XLogP2.39
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

1-O-methyl 4-O-(5,6,7,8-tetrahydronaphthalen-2-yl) butanedioate
CID 94274501
2,3-dihydro-1H-inden-5-yl 3-[(4-ethylphenyl)sulfonylamino]propanoate
CID 67677254
[2-(ethylcarbamoylamino)-2-oxoethyl] 2-(2,3-dihydro-1H-inden-5-yloxy)acetate
CID 4673954
5,6,7,8-tetrahydronaphthalen-2-yl 2-methoxyacetate
CID 110493686
N-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]butanamide
CID 113101532
5,6,7,8-tetrahydronaphthalen-2-yl 2-(4-ethylphenoxy)acetate
CID 110493680
2-(2,3-dihydro-1H-inden-5-yloxy)-N-pentylacetamide
CID 86976042
2,3-dihydro-1H-inden-5-yl N-propan-2-ylcarbamate
CID 127549123
methyl 2-(2,3-dihydro-1H-inden-5-yloxy)acetate
CID 43082820
1,2,3,4-tetrahydroquinolin-6-yl hexanoate
CID 23036154
ethyl 4-[[2-(2,3-dihydro-1H-inden-5-yl)acetyl]amino]butanoate
CID 60645837
5-(2,3-dihydro-1H-inden-5-yloxy)pentan-2-one
CID 43793468

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1H-inden-5-yl 5-(ethylamino)-5-oxopentanoate?
The IUPAC name of 2,3-dihydro-1H-inden-5-yl 5-(ethylamino)-5-oxopentanoate (CID 71988360) is 2,3-dihydro-1H-inden-5-yl 5-(ethylamino)-5-oxopentanoate.
What is the SMILES notation for 2,3-dihydro-1H-inden-5-yl 5-(ethylamino)-5-oxopentanoate?
The canonical SMILES for 2,3-dihydro-1H-inden-5-yl 5-(ethylamino)-5-oxopentanoate is CCNC(=O)CCCC(=O)Oc1ccc2c(c1)CCC2.
What is the InChIKey of 2,3-dihydro-1H-inden-5-yl 5-(ethylamino)-5-oxopentanoate?
The InChIKey is VYEZUDFNZSSOKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO3/c1-2-17-15(18)7-4-8-16(19)20-14-10-9-12-5-3-6-13(12)11-14/h9-11H,2-8H2,1H3,(H,17,18).
What are the key properties of 2,3-dihydro-1H-inden-5-yl 5-(ethylamino)-5-oxopentanoate?
2,3-dihydro-1H-inden-5-yl 5-(ethylamino)-5-oxopentanoate has a molecular weight of 275.35 g/mol, XLogP of 2.39, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1H-inden-5-yl 5-(ethylamino)-5-oxopentanoate is sourced from PubChem (CID 71988360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).