N-[(1-hydroxycyclobutyl)methyl]-3,4-dihydro-2H-pyran-6-carboxamide

C11H17NO3 — CID 111539526

IUPACN-[(1-hydroxycyclobutyl)methyl]-3,4-dihydro-2H-pyran-6-carboxamide
SMILESO=C(NCC1(O)CCC1)C1=CCCCO1
InChIInChI=1S/C11H17NO3/c13-10(9-4-1-2-7-15-9)12-8-11(14)5-3-6-11/h4,14H,1-3,5-8H2,(H,12,13)
InChIKeyPKMDJEAZOBYFLU-UHFFFAOYSA-N
MW211.26 g/mol
LogP0.71
Rot. Bonds3

About N-[(1-hydroxycyclobutyl)methyl]-3,4-dihydro-2H-pyran-6-carboxamide

N-[(1-hydroxycyclobutyl)methyl]-3,4-dihydro-2H-pyran-6-carboxamide (PubChem CID 111539526) has the molecular formula C11H17NO3 and a molecular weight of 211.26 g/mol. Its IUPAC name is N-[(1-hydroxycyclobutyl)methyl]-3,4-dihydro-2H-pyran-6-carboxamide.

Molecular Properties

Compound NameN-[(1-hydroxycyclobutyl)methyl]-3,4-dihydro-2H-pyran-6-carboxamide
PubChem CID111539526
Molecular FormulaC11H17NO3
Molecular Weight211.26 g/mol
Exact Mass211.12
IUPAC NameN-[(1-hydroxycyclobutyl)methyl]-3,4-dihydro-2H-pyran-6-carboxamide
SMILESO=C(NCC1(O)CCC1)C1=CCCCO1
InChIInChI=1S/C11H17NO3/c13-10(9-4-1-2-7-15-9)12-8-11(14)5-3-6-11/h4,14H,1-3,5-8H2,(H,12,13)
InChIKeyPKMDJEAZOBYFLU-UHFFFAOYSA-N
XLogP0.71
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-hydroxy-2,2,4-trimethylpentyl)-3,4-dihydro-2H-pyran-6-carboxamide
CID 109381205
N-[(1-hydroxycyclopentyl)methyl]-3,4-dihydro-2H-pyran-6-carboxamide
CID 111538663
N-(2-hydroxy-2-propylpentyl)-3,4-dihydro-2H-pyran-6-carboxamide
CID 111539315
N-[(1-hydroxycyclohexyl)methyl]-3,4-dihydro-2H-pyran-6-carboxamide
CID 111539873
N-(3-hydroxy-4-methylpentyl)-3,4-dihydro-2H-pyran-6-carboxamide
CID 111540258
N-(2-ethyl-2-hydroxybutyl)-3,4-dihydro-2H-pyran-6-carboxamide
CID 111540468
N-(2-hydroxy-2,3-dimethylbutyl)-3,4-dihydro-2H-pyran-6-carboxamide
CID 111540832
N-(2-hydroxy-2,5-dimethylhexyl)-3,4-dihydro-2H-pyran-6-carboxamide
CID 111540861
N-(3-ethyl-2-hydroxypentyl)-3,4-dihydro-2H-pyran-6-carboxamide
CID 111664798
N-(4-hydroxy-2,2-dimethylpentyl)-3,4-dihydro-2H-pyran-6-carboxamide
CID 112113940
N-(2-hydroxypentyl)-3,4-dihydro-2H-pyran-6-carboxamide
CID 112295462
N-(2-hydroxy-3-methylpentyl)-3,4-dihydro-2H-pyran-6-carboxamide
CID 112296722

Frequently Asked Questions

What is the IUPAC name of N-[(1-hydroxycyclobutyl)methyl]-3,4-dihydro-2H-pyran-6-carboxamide?
The IUPAC name of N-[(1-hydroxycyclobutyl)methyl]-3,4-dihydro-2H-pyran-6-carboxamide (CID 111539526) is N-[(1-hydroxycyclobutyl)methyl]-3,4-dihydro-2H-pyran-6-carboxamide.
What is the SMILES notation for N-[(1-hydroxycyclobutyl)methyl]-3,4-dihydro-2H-pyran-6-carboxamide?
The canonical SMILES for N-[(1-hydroxycyclobutyl)methyl]-3,4-dihydro-2H-pyran-6-carboxamide is O=C(NCC1(O)CCC1)C1=CCCCO1.
What is the InChIKey of N-[(1-hydroxycyclobutyl)methyl]-3,4-dihydro-2H-pyran-6-carboxamide?
The InChIKey is PKMDJEAZOBYFLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3/c13-10(9-4-1-2-7-15-9)12-8-11(14)5-3-6-11/h4,14H,1-3,5-8H2,(H,12,13).
What are the key properties of N-[(1-hydroxycyclobutyl)methyl]-3,4-dihydro-2H-pyran-6-carboxamide?
N-[(1-hydroxycyclobutyl)methyl]-3,4-dihydro-2H-pyran-6-carboxamide has a molecular weight of 211.26 g/mol, XLogP of 0.71, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-hydroxycyclobutyl)methyl]-3,4-dihydro-2H-pyran-6-carboxamide is sourced from PubChem (CID 111539526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).