N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2,3-dihydro-1,4-dioxine-5-carboxamide

C14H15NO4 — CID 103862957

IUPACN-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2,3-dihydro-1,4-dioxine-5-carboxamide
SMILESO=C(N[C@H]1c2ccccc2C[C@H]1O)C1=COCCO1
InChIInChI=1S/C14H15NO4/c16-11-7-9-3-1-2-4-10(9)13(11)15-14(17)12-8-18-5-6-19-12/h1-4,8,11,13,16H,5-7H2,(H,15,17)/t11-,13+/m1/s1
InChIKeyLMHGVLVSUZRHCT-YPMHNXCESA-N
MW261.28 g/mol
LogP0.65
Rot. Bonds2

About N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2,3-dihydro-1,4-dioxine-5-carboxamide

N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2,3-dihydro-1,4-dioxine-5-carboxamide (PubChem CID 103862957) has the molecular formula C14H15NO4 and a molecular weight of 261.28 g/mol. Its IUPAC name is N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2,3-dihydro-1,4-dioxine-5-carboxamide.

Molecular Properties

Compound NameN-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2,3-dihydro-1,4-dioxine-5-carboxamide
PubChem CID103862957
Molecular FormulaC14H15NO4
Molecular Weight261.28 g/mol
Exact Mass261.10
IUPAC NameN-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2,3-dihydro-1,4-dioxine-5-carboxamide
SMILESO=C(N[C@H]1c2ccccc2C[C@H]1O)C1=COCCO1
InChIInChI=1S/C14H15NO4/c16-11-7-9-3-1-2-4-10(9)13(11)15-14(17)12-8-18-5-6-19-12/h1-4,8,11,13,16H,5-7H2,(H,15,17)/t11-,13+/m1/s1
InChIKeyLMHGVLVSUZRHCT-YPMHNXCESA-N
XLogP0.65
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]pyrimidine-5-carboxamide
CID 104629828
2,6-difluoro-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]benzamide
CID 103816872
N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-4-methylbenzamide
CID 103625677
N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]oxane-4-carboxamide
CID 103816843
N-[(1S,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-1H-pyrrole-2-carboxamide
CID 141284427
N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-nitrobenzamide
CID 110906535
2,3-difluoro-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)benzamide
CID 62660008
3-bromo-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)benzamide
CID 61368559
3-hydroxy-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)benzamide
CID 61367973
N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)oxane-3-carboxamide
CID 62758276
2-chloro-N-[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]acetamide
CID 70272915
2,2,2-trifluoro-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]acetamide
CID 11665946

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2,3-dihydro-1,4-dioxine-5-carboxamide?
The IUPAC name of N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2,3-dihydro-1,4-dioxine-5-carboxamide (CID 103862957) is N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2,3-dihydro-1,4-dioxine-5-carboxamide.
What is the SMILES notation for N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2,3-dihydro-1,4-dioxine-5-carboxamide?
The canonical SMILES for N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2,3-dihydro-1,4-dioxine-5-carboxamide is O=C(N[C@H]1c2ccccc2C[C@H]1O)C1=COCCO1.
What is the InChIKey of N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2,3-dihydro-1,4-dioxine-5-carboxamide?
The InChIKey is LMHGVLVSUZRHCT-YPMHNXCESA-N. The full InChI is InChI=1S/C14H15NO4/c16-11-7-9-3-1-2-4-10(9)13(11)15-14(17)12-8-18-5-6-19-12/h1-4,8,11,13,16H,5-7H2,(H,15,17)/t11-,13+/m1/s1.
What are the key properties of N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2,3-dihydro-1,4-dioxine-5-carboxamide?
N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2,3-dihydro-1,4-dioxine-5-carboxamide has a molecular weight of 261.28 g/mol, XLogP of 0.65, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2,3-dihydro-1,4-dioxine-5-carboxamide is sourced from PubChem (CID 103862957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).