N-(2,3-dihydro-1H-inden-5-yl)-2-hydrazinyl-2-oxoacetamide

C11H13N3O2 — CID 43163947

IUPACN-(2,3-dihydro-1H-inden-5-yl)-2-hydrazinyl-2-oxoacetamide
SMILESNNC(=O)C(=O)Nc1ccc2c(c1)CCC2
InChIInChI=1S/C11H13N3O2/c12-14-11(16)10(15)13-9-5-4-7-2-1-3-8(7)6-9/h4-6H,1-3,12H2,(H,13,15)(H,14,16)
InChIKeyVSSGRIBQTFSLCV-UHFFFAOYSA-N
MW219.24 g/mol
LogP0.10
Rot. Bonds1

About N-(2,3-dihydro-1H-inden-5-yl)-2-hydrazinyl-2-oxoacetamide

N-(2,3-dihydro-1H-inden-5-yl)-2-hydrazinyl-2-oxoacetamide (PubChem CID 43163947) has the molecular formula C11H13N3O2 and a molecular weight of 219.24 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-inden-5-yl)-2-hydrazinyl-2-oxoacetamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-inden-5-yl)-2-hydrazinyl-2-oxoacetamide
PubChem CID43163947
Molecular FormulaC11H13N3O2
Molecular Weight219.24 g/mol
Exact Mass219.10
IUPAC NameN-(2,3-dihydro-1H-inden-5-yl)-2-hydrazinyl-2-oxoacetamide
SMILESNNC(=O)C(=O)Nc1ccc2c(c1)CCC2
InChIInChI=1S/C11H13N3O2/c12-14-11(16)10(15)13-9-5-4-7-2-1-3-8(7)6-9/h4-6H,1-3,12H2,(H,13,15)(H,14,16)
InChIKeyVSSGRIBQTFSLCV-UHFFFAOYSA-N
XLogP0.10
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 50.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-amino-3-(5,6,7,8-tetrahydronaphthalen-2-yl)urea
CID 115192342
N'-(2,3-dihydro-1H-inden-5-yl)-N-[(1-hydroxycyclohexyl)methyl]oxamide
CID 111435652
N-(2,3-dihydro-1H-inden-5-yl)-2-oxoacetamide
CID 115165888
1-amino-3-(2,3-dihydro-1H-inden-5-yl)-2-methylguanidine
CID 116510668
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CID 24704164
N-(2,3-dihydro-1H-inden-5-yl)-2-sulfanylacetamide
CID 60650065
3,5-dibromo-N-(2,3-dihydro-1H-inden-5-yl)benzamide
CID 107980005
1-(2,3-dihydro-1H-inden-5-ylcarbamoyl)cyclobutane-1-carboxylic acid
CID 62095213
N-(2,3-dihydro-1H-inden-5-yl)-N'-[dimethyl(oxo)-λ6-sulfanylidene]oxamide
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N-(2,3-dihydro-1H-inden-5-yl)-5-hydrazinylpyridine-2-carboxamide
CID 104642215
1-(2,3-dihydro-1H-inden-5-yl)-3-pyridin-4-ylurea
CID 17250078
2-[1-(aminomethyl)cyclobutyl]-N-(2,3-dihydro-1H-inden-5-yl)acetamide
CID 81167866

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-inden-5-yl)-2-hydrazinyl-2-oxoacetamide?
The IUPAC name of N-(2,3-dihydro-1H-inden-5-yl)-2-hydrazinyl-2-oxoacetamide (CID 43163947) is N-(2,3-dihydro-1H-inden-5-yl)-2-hydrazinyl-2-oxoacetamide.
What is the SMILES notation for N-(2,3-dihydro-1H-inden-5-yl)-2-hydrazinyl-2-oxoacetamide?
The canonical SMILES for N-(2,3-dihydro-1H-inden-5-yl)-2-hydrazinyl-2-oxoacetamide is NNC(=O)C(=O)Nc1ccc2c(c1)CCC2.
What is the InChIKey of N-(2,3-dihydro-1H-inden-5-yl)-2-hydrazinyl-2-oxoacetamide?
The InChIKey is VSSGRIBQTFSLCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2/c12-14-11(16)10(15)13-9-5-4-7-2-1-3-8(7)6-9/h4-6H,1-3,12H2,(H,13,15)(H,14,16).
What are the key properties of N-(2,3-dihydro-1H-inden-5-yl)-2-hydrazinyl-2-oxoacetamide?
N-(2,3-dihydro-1H-inden-5-yl)-2-hydrazinyl-2-oxoacetamide has a molecular weight of 219.24 g/mol, XLogP of 0.10, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-inden-5-yl)-2-hydrazinyl-2-oxoacetamide is sourced from PubChem (CID 43163947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).