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

C12H19NO3 — CID 111538663

IUPACN-[(1-hydroxycyclopentyl)methyl]-3,4-dihydro-2H-pyran-6-carboxamide
SMILESO=C(NCC1(O)CCCC1)C1=CCCCO1
InChIInChI=1S/C12H19NO3/c14-11(10-5-1-4-8-16-10)13-9-12(15)6-2-3-7-12/h5,15H,1-4,6-9H2,(H,13,14)
InChIKeyXAGMBDOBGPTQED-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.10
Rot. Bonds3

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

N-[(1-hydroxycyclopentyl)methyl]-3,4-dihydro-2H-pyran-6-carboxamide (PubChem CID 111538663) has the molecular formula C12H19NO3 and a molecular weight of 225.29 g/mol. Its IUPAC name is N-[(1-hydroxycyclopentyl)methyl]-3,4-dihydro-2H-pyran-6-carboxamide.

Molecular Properties

Compound NameN-[(1-hydroxycyclopentyl)methyl]-3,4-dihydro-2H-pyran-6-carboxamide
PubChem CID111538663
Molecular FormulaC12H19NO3
Molecular Weight225.29 g/mol
Exact Mass225.14
IUPAC NameN-[(1-hydroxycyclopentyl)methyl]-3,4-dihydro-2H-pyran-6-carboxamide
SMILESO=C(NCC1(O)CCCC1)C1=CCCCO1
InChIInChI=1S/C12H19NO3/c14-11(10-5-1-4-8-16-10)13-9-12(15)6-2-3-7-12/h5,15H,1-4,6-9H2,(H,13,14)
InChIKeyXAGMBDOBGPTQED-UHFFFAOYSA-N
XLogP1.10
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-hydroxycyclopentyl)methyl]-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 64195512
N-[1-(hydroxymethyl)cyclopentyl]-3,4-dihydro-2H-pyran-6-carboxamide
CID 110008837
N-(2-hydroxy-2-propylpentyl)-3,4-dihydro-2H-pyran-6-carboxamide
CID 111539315
N-[(1-hydroxycyclobutyl)methyl]-3,4-dihydro-2H-pyran-6-carboxamide
CID 111539526
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-hydroxycyclopentyl)methyl]-3,4-dihydro-2H-pyran-6-carboxamide
CID 111540635
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

Frequently Asked Questions

What is the IUPAC name of N-[(1-hydroxycyclopentyl)methyl]-3,4-dihydro-2H-pyran-6-carboxamide?
The IUPAC name of N-[(1-hydroxycyclopentyl)methyl]-3,4-dihydro-2H-pyran-6-carboxamide (CID 111538663) is N-[(1-hydroxycyclopentyl)methyl]-3,4-dihydro-2H-pyran-6-carboxamide.
What is the SMILES notation for N-[(1-hydroxycyclopentyl)methyl]-3,4-dihydro-2H-pyran-6-carboxamide?
The canonical SMILES for N-[(1-hydroxycyclopentyl)methyl]-3,4-dihydro-2H-pyran-6-carboxamide is O=C(NCC1(O)CCCC1)C1=CCCCO1.
What is the InChIKey of N-[(1-hydroxycyclopentyl)methyl]-3,4-dihydro-2H-pyran-6-carboxamide?
The InChIKey is XAGMBDOBGPTQED-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO3/c14-11(10-5-1-4-8-16-10)13-9-12(15)6-2-3-7-12/h5,15H,1-4,6-9H2,(H,13,14).
What are the key properties of N-[(1-hydroxycyclopentyl)methyl]-3,4-dihydro-2H-pyran-6-carboxamide?
N-[(1-hydroxycyclopentyl)methyl]-3,4-dihydro-2H-pyran-6-carboxamide has a molecular weight of 225.29 g/mol, XLogP of 1.10, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-hydroxycyclopentyl)methyl]-3,4-dihydro-2H-pyran-6-carboxamide is sourced from PubChem (CID 111538663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).