N-(1-hydroxy-2-methylbutan-2-yl)-3,4-dihydro-2H-pyran-6-carboxamide

C11H19NO3 — CID 86814959

IUPACN-(1-hydroxy-2-methylbutan-2-yl)-3,4-dihydro-2H-pyran-6-carboxamide
SMILESCCC(C)(CO)NC(=O)C1=CCCCO1
InChIInChI=1S/C11H19NO3/c1-3-11(2,8-13)12-10(14)9-6-4-5-7-15-9/h6,13H,3-5,7-8H2,1-2H3,(H,12,14)
InChIKeySQOZVIOIVIEZKT-UHFFFAOYSA-N
MW213.28 g/mol
LogP0.96
Rot. Bonds4

About N-(1-hydroxy-2-methylbutan-2-yl)-3,4-dihydro-2H-pyran-6-carboxamide

N-(1-hydroxy-2-methylbutan-2-yl)-3,4-dihydro-2H-pyran-6-carboxamide (PubChem CID 86814959) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is N-(1-hydroxy-2-methylbutan-2-yl)-3,4-dihydro-2H-pyran-6-carboxamide.

Molecular Properties

Compound NameN-(1-hydroxy-2-methylbutan-2-yl)-3,4-dihydro-2H-pyran-6-carboxamide
PubChem CID86814959
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC NameN-(1-hydroxy-2-methylbutan-2-yl)-3,4-dihydro-2H-pyran-6-carboxamide
SMILESCCC(C)(CO)NC(=O)C1=CCCCO1
InChIInChI=1S/C11H19NO3/c1-3-11(2,8-13)12-10(14)9-6-4-5-7-15-9/h6,13H,3-5,7-8H2,1-2H3,(H,12,14)
InChIKeySQOZVIOIVIEZKT-UHFFFAOYSA-N
XLogP0.96
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-2-methylbutan-2-yl)-3,4-dihydro-2H-pyran-6-carboxamide?
The IUPAC name of N-(1-hydroxy-2-methylbutan-2-yl)-3,4-dihydro-2H-pyran-6-carboxamide (CID 86814959) is N-(1-hydroxy-2-methylbutan-2-yl)-3,4-dihydro-2H-pyran-6-carboxamide.
What is the SMILES notation for N-(1-hydroxy-2-methylbutan-2-yl)-3,4-dihydro-2H-pyran-6-carboxamide?
The canonical SMILES for N-(1-hydroxy-2-methylbutan-2-yl)-3,4-dihydro-2H-pyran-6-carboxamide is CCC(C)(CO)NC(=O)C1=CCCCO1.
What is the InChIKey of N-(1-hydroxy-2-methylbutan-2-yl)-3,4-dihydro-2H-pyran-6-carboxamide?
The InChIKey is SQOZVIOIVIEZKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3/c1-3-11(2,8-13)12-10(14)9-6-4-5-7-15-9/h6,13H,3-5,7-8H2,1-2H3,(H,12,14).
What are the key properties of N-(1-hydroxy-2-methylbutan-2-yl)-3,4-dihydro-2H-pyran-6-carboxamide?
N-(1-hydroxy-2-methylbutan-2-yl)-3,4-dihydro-2H-pyran-6-carboxamide has a molecular weight of 213.28 g/mol, XLogP of 0.96, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-2-methylbutan-2-yl)-3,4-dihydro-2H-pyran-6-carboxamide is sourced from PubChem (CID 86814959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).