ethyl 2-hydrazinyl-1,3-dihydroindene-2-carboxylate

C12H16N2O2 — CID 149030219

IUPACethyl 2-hydrazinyl-1,3-dihydroindene-2-carboxylate
SMILESCCOC(=O)C1(NN)Cc2ccccc2C1
InChIInChI=1S/C12H16N2O2/c1-2-16-11(15)12(14-13)7-9-5-3-4-6-10(9)8-12/h3-6,14H,2,7-8,13H2,1H3
InChIKeyQFHIWELSGBTYQX-UHFFFAOYSA-N
MW220.27 g/mol
LogP0.55
Rot. Bonds3

About ethyl 2-hydrazinyl-1,3-dihydroindene-2-carboxylate

ethyl 2-hydrazinyl-1,3-dihydroindene-2-carboxylate (PubChem CID 149030219) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is ethyl 2-hydrazinyl-1,3-dihydroindene-2-carboxylate.

Molecular Properties

Compound Nameethyl 2-hydrazinyl-1,3-dihydroindene-2-carboxylate
PubChem CID149030219
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Nameethyl 2-hydrazinyl-1,3-dihydroindene-2-carboxylate
SMILESCCOC(=O)C1(NN)Cc2ccccc2C1
InChIInChI=1S/C12H16N2O2/c1-2-16-11(15)12(14-13)7-9-5-3-4-6-10(9)8-12/h3-6,14H,2,7-8,13H2,1H3
InChIKeyQFHIWELSGBTYQX-UHFFFAOYSA-N
XLogP0.55
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

methyl 2-amino-2,3-dihydro-1H-indene-2-carboxylate hydrochloride
CID 45074056
ethyl 2-(2-amino-2,3-dihydro-1H-inden-2-yl)acetate hydrochloride
CID 57443999
Ethyl 2-amino-2,3-dihydro-1H-indene-2-carboxylate
CID 10921653
methyl 2-amino-2-(2,3-dihydro-1H-inden-1-yl)acetate
CID 10104397
ethyl 2-amino-2,3-dihydro-1H-indene-2-carboxylate hydrochloride
CID 11379496
Ethyl 2-isocyano-1,3-dihydroindene-2-carboxylate
CID 10846344
Ethyl 2-amino-2,3-dihydro-5,6-dimethyl-1H-indene-2-carboxylate
CID 59314176
2-Amino-5,6-difluoro-indan-2-carboxylic acid ethyl ester
CID 39977428
Methyl 2-amino-2,3-dihydro-1H-indene-2-carboxylate
CID 45074057
2-Aminoindan-2-acetic acid ethyl ester
CID 57443998
Ethyl 2-amino-4,5-difluoro-1,3-dihydroindene-2-carboxylate
CID 59314097
Ethyl 2-amino-5-fluoro-2,3-dihydro-1H-indene-2-carboxylate
CID 59314154

Frequently Asked Questions

What is the IUPAC name of ethyl 2-hydrazinyl-1,3-dihydroindene-2-carboxylate?
The IUPAC name of ethyl 2-hydrazinyl-1,3-dihydroindene-2-carboxylate (CID 149030219) is ethyl 2-hydrazinyl-1,3-dihydroindene-2-carboxylate.
What is the SMILES notation for ethyl 2-hydrazinyl-1,3-dihydroindene-2-carboxylate?
The canonical SMILES for ethyl 2-hydrazinyl-1,3-dihydroindene-2-carboxylate is CCOC(=O)C1(NN)Cc2ccccc2C1.
What is the InChIKey of ethyl 2-hydrazinyl-1,3-dihydroindene-2-carboxylate?
The InChIKey is QFHIWELSGBTYQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-2-16-11(15)12(14-13)7-9-5-3-4-6-10(9)8-12/h3-6,14H,2,7-8,13H2,1H3.
What are the key properties of ethyl 2-hydrazinyl-1,3-dihydroindene-2-carboxylate?
ethyl 2-hydrazinyl-1,3-dihydroindene-2-carboxylate has a molecular weight of 220.27 g/mol, XLogP of 0.55, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-hydrazinyl-1,3-dihydroindene-2-carboxylate is sourced from PubChem (CID 149030219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).