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

C12H19NO3 — CID 110008837

IUPACN-[1-(hydroxymethyl)cyclopentyl]-3,4-dihydro-2H-pyran-6-carboxamide
SMILESO=C(NC1(CO)CCCC1)C1=CCCCO1
InChIInChI=1S/C12H19NO3/c14-9-12(6-2-3-7-12)13-11(15)10-5-1-4-8-16-10/h5,14H,1-4,6-9H2,(H,13,15)
InChIKeyIYUMUYLVYUFXFZ-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.10
Rot. Bonds3

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

N-[1-(hydroxymethyl)cyclopentyl]-3,4-dihydro-2H-pyran-6-carboxamide (PubChem CID 110008837) has the molecular formula C12H19NO3 and a molecular weight of 225.29 g/mol. Its IUPAC name is N-[1-(hydroxymethyl)cyclopentyl]-3,4-dihydro-2H-pyran-6-carboxamide.

Molecular Properties

Compound NameN-[1-(hydroxymethyl)cyclopentyl]-3,4-dihydro-2H-pyran-6-carboxamide
PubChem CID110008837
Molecular FormulaC12H19NO3
Molecular Weight225.29 g/mol
Exact Mass225.14
IUPAC NameN-[1-(hydroxymethyl)cyclopentyl]-3,4-dihydro-2H-pyran-6-carboxamide
SMILESO=C(NC1(CO)CCCC1)C1=CCCCO1
InChIInChI=1S/C12H19NO3/c14-9-12(6-2-3-7-12)13-11(15)10-5-1-4-8-16-10/h5,14H,1-4,6-9H2,(H,13,15)
InChIKeyIYUMUYLVYUFXFZ-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-[(2S)-1-hydroxy-2-methylbutan-2-yl]-3,4-dihydro-2H-pyran-6-carboxamide
CID 99777293
N-[1-(hydroxymethyl)cyclopentyl]-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 62517830
N-(2-cyclohexyl-1-hydroxypropan-2-yl)-3,4-dihydro-2H-pyran-6-carboxamide
CID 86803209
N-(1-hydroxy-2-methylbutan-2-yl)-3,4-dihydro-2H-pyran-6-carboxamide
CID 86814959
N-[(2R)-1-hydroxy-2-methylbutan-2-yl]-3,4-dihydro-2H-pyran-6-carboxamide
CID 99777294
N-[(2S)-2-cyclohexyl-1-hydroxypropan-2-yl]-3,4-dihydro-2H-pyran-6-carboxamide
CID 99827219
N-[(2R)-2-cyclohexyl-1-hydroxypropan-2-yl]-3,4-dihydro-2H-pyran-6-carboxamide
CID 99827220
N-(2-cyclopropyl-1-hydroxypropan-2-yl)-3,4-dihydro-2H-pyran-6-carboxamide
CID 109870624
N-[(1-hydroxycyclopentyl)methyl]-3,4-dihydro-2H-pyran-6-carboxamide
CID 111538663
N-[(2-hydroxycyclopentyl)methyl]-3,4-dihydro-2H-pyran-6-carboxamide
CID 111540635
N-(2-cyclopentyl-2-hydroxyethyl)-3,4-dihydro-2H-pyran-6-carboxamide
CID 112297318
N-[2-(2-hydroxyethyl)pentyl]-3,4-dihydro-2H-pyran-6-carboxamide
CID 112334324

Frequently Asked Questions

What is the IUPAC name of N-[1-(hydroxymethyl)cyclopentyl]-3,4-dihydro-2H-pyran-6-carboxamide?
The IUPAC name of N-[1-(hydroxymethyl)cyclopentyl]-3,4-dihydro-2H-pyran-6-carboxamide (CID 110008837) is N-[1-(hydroxymethyl)cyclopentyl]-3,4-dihydro-2H-pyran-6-carboxamide.
What is the SMILES notation for N-[1-(hydroxymethyl)cyclopentyl]-3,4-dihydro-2H-pyran-6-carboxamide?
The canonical SMILES for N-[1-(hydroxymethyl)cyclopentyl]-3,4-dihydro-2H-pyran-6-carboxamide is O=C(NC1(CO)CCCC1)C1=CCCCO1.
What is the InChIKey of N-[1-(hydroxymethyl)cyclopentyl]-3,4-dihydro-2H-pyran-6-carboxamide?
The InChIKey is IYUMUYLVYUFXFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO3/c14-9-12(6-2-3-7-12)13-11(15)10-5-1-4-8-16-10/h5,14H,1-4,6-9H2,(H,13,15).
What are the key properties of N-[1-(hydroxymethyl)cyclopentyl]-3,4-dihydro-2H-pyran-6-carboxamide?
N-[1-(hydroxymethyl)cyclopentyl]-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-(hydroxymethyl)cyclopentyl]-3,4-dihydro-2H-pyran-6-carboxamide is sourced from PubChem (CID 110008837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).