5-(2,3-dihydro-1H-inden-5-yloxymethyl)oxolane-2-carbohydrazide

C15H20N2O3 — CID 63575216

IUPAC5-(2,3-dihydro-1H-inden-5-yloxymethyl)oxolane-2-carbohydrazide
SMILESNNC(=O)C1CCC(COc2ccc3c(c2)CCC3)O1
InChIInChI=1S/C15H20N2O3/c16-17-15(18)14-7-6-13(20-14)9-19-12-5-4-10-2-1-3-11(10)8-12/h4-5,8,13-14H,1-3,6-7,9,16H2,(H,17,18)
InChIKeyCBPHTQIEOOQAGP-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.09
Rot. Bonds4

About 5-(2,3-dihydro-1H-inden-5-yloxymethyl)oxolane-2-carbohydrazide

5-(2,3-dihydro-1H-inden-5-yloxymethyl)oxolane-2-carbohydrazide (PubChem CID 63575216) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 5-(2,3-dihydro-1H-inden-5-yloxymethyl)oxolane-2-carbohydrazide.

Molecular Properties

Compound Name5-(2,3-dihydro-1H-inden-5-yloxymethyl)oxolane-2-carbohydrazide
PubChem CID63575216
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name5-(2,3-dihydro-1H-inden-5-yloxymethyl)oxolane-2-carbohydrazide
SMILESNNC(=O)C1CCC(COc2ccc3c(c2)CCC3)O1
InChIInChI=1S/C15H20N2O3/c16-17-15(18)14-7-6-13(20-14)9-19-12-5-4-10-2-1-3-11(10)8-12/h4-5,8,13-14H,1-3,6-7,9,16H2,(H,17,18)
InChIKeyCBPHTQIEOOQAGP-UHFFFAOYSA-N
XLogP1.09
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-[(4-cyanophenoxy)methyl]oxolane-2-carbohydrazide
CID 55214373
5-[(3-methylphenoxy)methyl]oxolane-2-carbohydrazide
CID 63576856
5-[[4-(2-hydroxyethyl)phenoxy]methyl]oxolane-2-carbohydrazide
CID 107710073
5-[(3-formylphenoxy)methyl]oxolane-2-carbohydrazide
CID 63570861
5-(quinolin-7-yloxymethyl)oxolane-2-carbohydrazide
CID 107315431
5-[(2,5-difluorophenoxy)methyl]oxolane-2-carbohydrazide
CID 63570371
5-[(2,4,5-trichlorophenoxy)methyl]oxolane-2-carbohydrazide
CID 63576364
5-(2-phenoxyethoxymethyl)oxolane-2-carbohydrazide
CID 63574550
(2S,5R)-5-(aminomethyl)-N-(2,3-dihydro-1H-inden-5-yl)oxolane-2-carboxamide;hydrochloride
CID 120783405
5-[(2-iodophenoxy)methyl]oxolane-2-carbohydrazide
CID 63570508
5-(naphthalen-1-yloxymethyl)oxolane-2-carbohydrazide
CID 63576009
2-[[5-(hydrazinecarbonyl)oxolan-2-yl]methoxy]benzamide
CID 63574823

Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dihydro-1H-inden-5-yloxymethyl)oxolane-2-carbohydrazide?
The IUPAC name of 5-(2,3-dihydro-1H-inden-5-yloxymethyl)oxolane-2-carbohydrazide (CID 63575216) is 5-(2,3-dihydro-1H-inden-5-yloxymethyl)oxolane-2-carbohydrazide.
What is the SMILES notation for 5-(2,3-dihydro-1H-inden-5-yloxymethyl)oxolane-2-carbohydrazide?
The canonical SMILES for 5-(2,3-dihydro-1H-inden-5-yloxymethyl)oxolane-2-carbohydrazide is NNC(=O)C1CCC(COc2ccc3c(c2)CCC3)O1.
What is the InChIKey of 5-(2,3-dihydro-1H-inden-5-yloxymethyl)oxolane-2-carbohydrazide?
The InChIKey is CBPHTQIEOOQAGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c16-17-15(18)14-7-6-13(20-14)9-19-12-5-4-10-2-1-3-11(10)8-12/h4-5,8,13-14H,1-3,6-7,9,16H2,(H,17,18).
What are the key properties of 5-(2,3-dihydro-1H-inden-5-yloxymethyl)oxolane-2-carbohydrazide?
5-(2,3-dihydro-1H-inden-5-yloxymethyl)oxolane-2-carbohydrazide has a molecular weight of 276.34 g/mol, XLogP of 1.09, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dihydro-1H-inden-5-yloxymethyl)oxolane-2-carbohydrazide is sourced from PubChem (CID 63575216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).