N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)oxane-3-carboxamide

C15H19NO3 — CID 62758276

IUPACN-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)oxane-3-carboxamide
SMILESO=C(NC1c2ccccc2CC1O)C1CCCOC1
InChIInChI=1S/C15H19NO3/c17-13-8-10-4-1-2-6-12(10)14(13)16-15(18)11-5-3-7-19-9-11/h1-2,4,6,11,13-14,17H,3,5,7-9H2,(H,16,18)
InChIKeyYEZOIHUNHPGXNJ-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.19
Rot. Bonds2

About N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)oxane-3-carboxamide

N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)oxane-3-carboxamide (PubChem CID 62758276) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)oxane-3-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)oxane-3-carboxamide
PubChem CID62758276
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC NameN-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)oxane-3-carboxamide
SMILESO=C(NC1c2ccccc2CC1O)C1CCCOC1
InChIInChI=1S/C15H19NO3/c17-13-8-10-4-1-2-6-12(10)14(13)16-15(18)11-5-3-7-19-9-11/h1-2,4,6,11,13-14,17H,3,5,7-9H2,(H,16,18)
InChIKeyYEZOIHUNHPGXNJ-UHFFFAOYSA-N
XLogP1.19
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)oxane-3-carboxamide?
The IUPAC name of N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)oxane-3-carboxamide (CID 62758276) is N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)oxane-3-carboxamide.
What is the SMILES notation for N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)oxane-3-carboxamide?
The canonical SMILES for N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)oxane-3-carboxamide is O=C(NC1c2ccccc2CC1O)C1CCCOC1.
What is the InChIKey of N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)oxane-3-carboxamide?
The InChIKey is YEZOIHUNHPGXNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3/c17-13-8-10-4-1-2-6-12(10)14(13)16-15(18)11-5-3-7-19-9-11/h1-2,4,6,11,13-14,17H,3,5,7-9H2,(H,16,18).
What are the key properties of N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)oxane-3-carboxamide?
N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)oxane-3-carboxamide has a molecular weight of 261.32 g/mol, XLogP of 1.19, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)oxane-3-carboxamide is sourced from PubChem (CID 62758276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).