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

C12H19NO3 — CID 111540635

IUPACN-[(2-hydroxycyclopentyl)methyl]-3,4-dihydro-2H-pyran-6-carboxamide
SMILESO=C(NCC1CCCC1O)C1=CCCCO1
InChIInChI=1S/C12H19NO3/c14-10-5-3-4-9(10)8-13-12(15)11-6-1-2-7-16-11/h6,9-10,14H,1-5,7-8H2,(H,13,15)
InChIKeyPBHJWYUOVKIOCF-UHFFFAOYSA-N
MW225.29 g/mol
LogP0.96
Rot. Bonds3

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

N-[(2-hydroxycyclopentyl)methyl]-3,4-dihydro-2H-pyran-6-carboxamide (PubChem CID 111540635) has the molecular formula C12H19NO3 and a molecular weight of 225.29 g/mol. Its IUPAC name is N-[(2-hydroxycyclopentyl)methyl]-3,4-dihydro-2H-pyran-6-carboxamide.

Molecular Properties

Compound NameN-[(2-hydroxycyclopentyl)methyl]-3,4-dihydro-2H-pyran-6-carboxamide
PubChem CID111540635
Molecular FormulaC12H19NO3
Molecular Weight225.29 g/mol
Exact Mass225.14
IUPAC NameN-[(2-hydroxycyclopentyl)methyl]-3,4-dihydro-2H-pyran-6-carboxamide
SMILESO=C(NCC1CCCC1O)C1=CCCCO1
InChIInChI=1S/C12H19NO3/c14-10-5-3-4-9(10)8-13-12(15)11-6-1-2-7-16-11/h6,9-10,14H,1-5,7-8H2,(H,13,15)
InChIKeyPBHJWYUOVKIOCF-UHFFFAOYSA-N
XLogP0.96
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 ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-hydroxycyclopentyl)methyl]-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 65834623
N-[2-(hydroxymethyl)cyclohexyl]-3,4-dihydro-2H-pyran-6-carboxamide
CID 84592163
N-(3-hydroxy-2,2,4-trimethylpentyl)-3,4-dihydro-2H-pyran-6-carboxamide
CID 109381205
N-(1-cyclopropyl-3-hydroxypropyl)-3,4-dihydro-2H-pyran-6-carboxamide
CID 109618191
N-[2-(hydroxymethyl)cycloheptyl]-3,4-dihydro-2H-pyran-6-carboxamide
CID 109871161
N-[1-(hydroxymethyl)cyclopentyl]-3,4-dihydro-2H-pyran-6-carboxamide
CID 110008837
N-[(1-hydroxycyclopentyl)methyl]-3,4-dihydro-2H-pyran-6-carboxamide
CID 111538663
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-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-(2-hydroxy-3-methylpentyl)-3,4-dihydro-2H-pyran-6-carboxamide
CID 112296722

Frequently Asked Questions

What is the IUPAC name of N-[(2-hydroxycyclopentyl)methyl]-3,4-dihydro-2H-pyran-6-carboxamide?
The IUPAC name of N-[(2-hydroxycyclopentyl)methyl]-3,4-dihydro-2H-pyran-6-carboxamide (CID 111540635) is N-[(2-hydroxycyclopentyl)methyl]-3,4-dihydro-2H-pyran-6-carboxamide.
What is the SMILES notation for N-[(2-hydroxycyclopentyl)methyl]-3,4-dihydro-2H-pyran-6-carboxamide?
The canonical SMILES for N-[(2-hydroxycyclopentyl)methyl]-3,4-dihydro-2H-pyran-6-carboxamide is O=C(NCC1CCCC1O)C1=CCCCO1.
What is the InChIKey of N-[(2-hydroxycyclopentyl)methyl]-3,4-dihydro-2H-pyran-6-carboxamide?
The InChIKey is PBHJWYUOVKIOCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO3/c14-10-5-3-4-9(10)8-13-12(15)11-6-1-2-7-16-11/h6,9-10,14H,1-5,7-8H2,(H,13,15).
What are the key properties of N-[(2-hydroxycyclopentyl)methyl]-3,4-dihydro-2H-pyran-6-carboxamide?
N-[(2-hydroxycyclopentyl)methyl]-3,4-dihydro-2H-pyran-6-carboxamide has a molecular weight of 225.29 g/mol, XLogP of 0.96, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-hydroxycyclopentyl)methyl]-3,4-dihydro-2H-pyran-6-carboxamide is sourced from PubChem (CID 111540635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).