3-(2,3-dihydro-1H-inden-5-yl)-N'-methylpropanehydrazide

C13H18N2O — CID 116846323

IUPAC3-(2,3-dihydro-1H-inden-5-yl)-N'-methylpropanehydrazide
SMILESCNNC(=O)CCc1ccc2c(c1)CCC2
InChIInChI=1S/C13H18N2O/c1-14-15-13(16)8-6-10-5-7-11-3-2-4-12(11)9-10/h5,7,9,14H,2-4,6,8H2,1H3,(H,15,16)
InChIKeyGRBOCYOSOWBXKZ-UHFFFAOYSA-N
MW218.30 g/mol
LogP1.36
Rot. Bonds4

About 3-(2,3-dihydro-1H-inden-5-yl)-N'-methylpropanehydrazide

3-(2,3-dihydro-1H-inden-5-yl)-N'-methylpropanehydrazide (PubChem CID 116846323) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is 3-(2,3-dihydro-1H-inden-5-yl)-N'-methylpropanehydrazide.

Molecular Properties

Compound Name3-(2,3-dihydro-1H-inden-5-yl)-N'-methylpropanehydrazide
PubChem CID116846323
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name3-(2,3-dihydro-1H-inden-5-yl)-N'-methylpropanehydrazide
SMILESCNNC(=O)CCc1ccc2c(c1)CCC2
InChIInChI=1S/C13H18N2O/c1-14-15-13(16)8-6-10-5-7-11-3-2-4-12(11)9-10/h5,7,9,14H,2-4,6,8H2,1H3,(H,15,16)
InChIKeyGRBOCYOSOWBXKZ-UHFFFAOYSA-N
XLogP1.36
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(2,3-dihydro-1H-inden-5-yl)propanoic acid
CID 12646159
5-(2,3-dihydro-1H-inden-5-yl)pentan-2-one
CID 64522132
5-(3,4-dihydro-2H-chromen-6-yl)-N'-methylpentanehydrazide
CID 116846644
5-(2,3-dihydro-1H-inden-5-yl)-N',N'-dimethylpentanehydrazide
CID 116847788
2-amino-N-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide
CID 82495829
2-(2,3-dihydro-1H-inden-5-yl)-N-propan-2-ylacetamide
CID 60645732
6-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-1,2,3,4-tetrahydronaphthalene
CID 19914431
methyl 3-[2-(2,3-dihydro-1H-inden-5-yl)ethylamino]propanoate
CID 115232486
N-(2,3-dihydro-1H-inden-5-yl)-3-phenylpropanamide
CID 4239191
2-(2,3-dihydro-1H-inden-5-yl)ethanamine
CID 61070182
N-[2-(2,3-dihydro-1H-inden-5-yl)ethyl]carbamoyl chloride
CID 115194877
1-(2,6-dihydroxy-4-methylphenyl)-3-(5,6,7,8-tetrahydronaphthalen-2-yl)propan-1-one
CID 22016689

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1H-inden-5-yl)-N'-methylpropanehydrazide?
The IUPAC name of 3-(2,3-dihydro-1H-inden-5-yl)-N'-methylpropanehydrazide (CID 116846323) is 3-(2,3-dihydro-1H-inden-5-yl)-N'-methylpropanehydrazide.
What is the SMILES notation for 3-(2,3-dihydro-1H-inden-5-yl)-N'-methylpropanehydrazide?
The canonical SMILES for 3-(2,3-dihydro-1H-inden-5-yl)-N'-methylpropanehydrazide is CNNC(=O)CCc1ccc2c(c1)CCC2.
What is the InChIKey of 3-(2,3-dihydro-1H-inden-5-yl)-N'-methylpropanehydrazide?
The InChIKey is GRBOCYOSOWBXKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-14-15-13(16)8-6-10-5-7-11-3-2-4-12(11)9-10/h5,7,9,14H,2-4,6,8H2,1H3,(H,15,16).
What are the key properties of 3-(2,3-dihydro-1H-inden-5-yl)-N'-methylpropanehydrazide?
3-(2,3-dihydro-1H-inden-5-yl)-N'-methylpropanehydrazide has a molecular weight of 218.30 g/mol, XLogP of 1.36, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydro-1H-inden-5-yl)-N'-methylpropanehydrazide is sourced from PubChem (CID 116846323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).