hydrazinyl 3-(2,3-dihydro-1H-inden-5-yloxy)propanoate

C12H16N2O3 — CID 66337101

IUPAChydrazinyl 3-(2,3-dihydro-1H-inden-5-yloxy)propanoate
SMILESNNOC(=O)CCOc1ccc2c(c1)CCC2
InChIInChI=1S/C12H16N2O3/c13-14-17-12(15)6-7-16-11-5-4-9-2-1-3-10(9)8-11/h4-5,8,14H,1-3,6-7,13H2
InChIKeyUXADJWGYCHUOGK-UHFFFAOYSA-N
MW236.27 g/mol
LogP0.87
Rot. Bonds5

About hydrazinyl 3-(2,3-dihydro-1H-inden-5-yloxy)propanoate

hydrazinyl 3-(2,3-dihydro-1H-inden-5-yloxy)propanoate (PubChem CID 66337101) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is hydrazinyl 3-(2,3-dihydro-1H-inden-5-yloxy)propanoate.

Molecular Properties

Compound Namehydrazinyl 3-(2,3-dihydro-1H-inden-5-yloxy)propanoate
PubChem CID66337101
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Namehydrazinyl 3-(2,3-dihydro-1H-inden-5-yloxy)propanoate
SMILESNNOC(=O)CCOc1ccc2c(c1)CCC2
InChIInChI=1S/C12H16N2O3/c13-14-17-12(15)6-7-16-11-5-4-9-2-1-3-10(9)8-11/h4-5,8,14H,1-3,6-7,13H2
InChIKeyUXADJWGYCHUOGK-UHFFFAOYSA-N
XLogP0.87
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

hydrazinyl 3-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxy]propanoate
CID 114939971
5-(2,3-dihydro-1H-inden-5-yloxy)pentan-2-one
CID 43793468
methyl 2-(2,3-dihydro-1H-inden-5-yloxy)acetate
CID 43082820
hydrazinyl 3-[3-(hydroxymethyl)phenoxy]propanoate
CID 66337477
methyl N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]carbamate
CID 113101472
methyl 3-[4-(2,3-dihydro-1H-inden-5-ylsulfamoyl)phenoxy]propanoate
CID 47062752
2-(2,3-dihydro-1H-inden-5-yloxy)-N-methylethanamine
CID 14809522
4-(2,3-dihydro-1H-inden-5-yloxy)-N'-hydroxybutanimidamide
CID 43212374
2-(2,3-dihydro-1H-inden-5-yloxy)-N-methoxyacetamide
CID 51275231
hydrazinyl 3-(4-bromo-3,5-dimethylphenoxy)propanoate
CID 107726871
1-(2,3-dihydro-1H-inden-5-yloxy)propan-2-ylhydrazine
CID 82283353
2-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethylamino]acetic acid
CID 94689863

Frequently Asked Questions

What is the IUPAC name of hydrazinyl 3-(2,3-dihydro-1H-inden-5-yloxy)propanoate?
The IUPAC name of hydrazinyl 3-(2,3-dihydro-1H-inden-5-yloxy)propanoate (CID 66337101) is hydrazinyl 3-(2,3-dihydro-1H-inden-5-yloxy)propanoate.
What is the SMILES notation for hydrazinyl 3-(2,3-dihydro-1H-inden-5-yloxy)propanoate?
The canonical SMILES for hydrazinyl 3-(2,3-dihydro-1H-inden-5-yloxy)propanoate is NNOC(=O)CCOc1ccc2c(c1)CCC2.
What is the InChIKey of hydrazinyl 3-(2,3-dihydro-1H-inden-5-yloxy)propanoate?
The InChIKey is UXADJWGYCHUOGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c13-14-17-12(15)6-7-16-11-5-4-9-2-1-3-10(9)8-11/h4-5,8,14H,1-3,6-7,13H2.
What are the key properties of hydrazinyl 3-(2,3-dihydro-1H-inden-5-yloxy)propanoate?
hydrazinyl 3-(2,3-dihydro-1H-inden-5-yloxy)propanoate has a molecular weight of 236.27 g/mol, XLogP of 0.87, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for hydrazinyl 3-(2,3-dihydro-1H-inden-5-yloxy)propanoate is sourced from PubChem (CID 66337101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).