4-[2-(hydroxymethyl)azepane-1-carbonyl]-1-methylpyridin-2-one

C14H20N2O3 — CID 116635947

IUPAC4-[2-(hydroxymethyl)azepane-1-carbonyl]-1-methylpyridin-2-one
SMILESCn1ccc(C(=O)N2CCCCCC2CO)cc1=O
InChIInChI=1S/C14H20N2O3/c1-15-8-6-11(9-13(15)18)14(19)16-7-4-2-3-5-12(16)10-17/h6,8-9,12,17H,2-5,7,10H2,1H3
InChIKeyNFRNGTTUQAHMFI-UHFFFAOYSA-N
MW264.32 g/mol
LogP0.76
Rot. Bonds2

About 4-[2-(hydroxymethyl)azepane-1-carbonyl]-1-methylpyridin-2-one

4-[2-(hydroxymethyl)azepane-1-carbonyl]-1-methylpyridin-2-one (PubChem CID 116635947) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 4-[2-(hydroxymethyl)azepane-1-carbonyl]-1-methylpyridin-2-one.

Molecular Properties

Compound Name4-[2-(hydroxymethyl)azepane-1-carbonyl]-1-methylpyridin-2-one
PubChem CID116635947
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name4-[2-(hydroxymethyl)azepane-1-carbonyl]-1-methylpyridin-2-one
SMILESCn1ccc(C(=O)N2CCCCCC2CO)cc1=O
InChIInChI=1S/C14H20N2O3/c1-15-8-6-11(9-13(15)18)14(19)16-7-4-2-3-5-12(16)10-17/h6,8-9,12,17H,2-5,7,10H2,1H3
InChIKeyNFRNGTTUQAHMFI-UHFFFAOYSA-N
XLogP0.76
TPSA62.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-(Hydroxymethyl)piperidine-1-carbonyl]-1-methylpyridin-2-one
CID 43421075
4-[2-(3-Hydroxypropyl)pyrrolidine-1-carbonyl]-1-methylpyridin-2-one
CID 55076455
4-[2-(Hydroxymethyl)pyrrolidine-1-carbonyl]-1-methylpyridin-2-one
CID 61408645
4-[(2S)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]-1-methylpyridin-2-one
CID 66260918
4-[(2R)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]-1-methylpyridin-2-one
CID 79029096
6-(hydroxymethyl)-7,8,9,10-tetrahydro-6H-pyrido[1,2-a]azepin-4-one
CID 102126800
N-(2-hydroxycyclohexyl)-N,1-dimethyl-2-oxopyridine-4-carboxamide
CID 102635385
4-[2-(2-Hydroxypropyl)pyrrolidine-1-carbonyl]-1-methylpyridin-2-one
CID 103840283
N-(2-hydroxycycloheptyl)-1-methyl-2-oxopyridine-4-carboxamide
CID 104282042
1-[2-(Hydroxymethyl)azepan-1-yl]hexa-2,4-dien-1-one
CID 104891624
4-[2-(2-Hydroxypropyl)piperidine-1-carbonyl]-1-methylpyridin-2-one
CID 107358342
N-(2-hydroxycycloheptyl)-2-oxo-1H-pyridine-4-carboxamide
CID 108105658

Frequently Asked Questions

What is the IUPAC name of 4-[2-(hydroxymethyl)azepane-1-carbonyl]-1-methylpyridin-2-one?
The IUPAC name of 4-[2-(hydroxymethyl)azepane-1-carbonyl]-1-methylpyridin-2-one (CID 116635947) is 4-[2-(hydroxymethyl)azepane-1-carbonyl]-1-methylpyridin-2-one.
What is the SMILES notation for 4-[2-(hydroxymethyl)azepane-1-carbonyl]-1-methylpyridin-2-one?
The canonical SMILES for 4-[2-(hydroxymethyl)azepane-1-carbonyl]-1-methylpyridin-2-one is Cn1ccc(C(=O)N2CCCCCC2CO)cc1=O.
What is the InChIKey of 4-[2-(hydroxymethyl)azepane-1-carbonyl]-1-methylpyridin-2-one?
The InChIKey is NFRNGTTUQAHMFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-15-8-6-11(9-13(15)18)14(19)16-7-4-2-3-5-12(16)10-17/h6,8-9,12,17H,2-5,7,10H2,1H3.
What are the key properties of 4-[2-(hydroxymethyl)azepane-1-carbonyl]-1-methylpyridin-2-one?
4-[2-(hydroxymethyl)azepane-1-carbonyl]-1-methylpyridin-2-one has a molecular weight of 264.32 g/mol, XLogP of 0.76, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(hydroxymethyl)azepane-1-carbonyl]-1-methylpyridin-2-one is sourced from PubChem (CID 116635947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).