cyclopentyl-(4-hydroxy-4-methylazepan-1-yl)methanone

C13H23NO2 — CID 107406748

IUPACcyclopentyl-(4-hydroxy-4-methylazepan-1-yl)methanone
SMILESCC1(O)CCCN(C(=O)C2CCCC2)CC1
InChIInChI=1S/C13H23NO2/c1-13(16)7-4-9-14(10-8-13)12(15)11-5-2-3-6-11/h11,16H,2-10H2,1H3
InChIKeyQZGZZZUPOVJWMQ-UHFFFAOYSA-N
MW225.33 g/mol
LogP1.94
Rot. Bonds1

About cyclopentyl-(4-hydroxy-4-methylazepan-1-yl)methanone

cyclopentyl-(4-hydroxy-4-methylazepan-1-yl)methanone (PubChem CID 107406748) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is cyclopentyl-(4-hydroxy-4-methylazepan-1-yl)methanone.

Molecular Properties

Compound Namecyclopentyl-(4-hydroxy-4-methylazepan-1-yl)methanone
PubChem CID107406748
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Namecyclopentyl-(4-hydroxy-4-methylazepan-1-yl)methanone
SMILESCC1(O)CCCN(C(=O)C2CCCC2)CC1
InChIInChI=1S/C13H23NO2/c1-13(16)7-4-9-14(10-8-13)12(15)11-5-2-3-6-11/h11,16H,2-10H2,1H3
InChIKeyQZGZZZUPOVJWMQ-UHFFFAOYSA-N
XLogP1.94
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-Hydroxy-3-methylbutyl)azepan-2-one
CID 79361540
4,4,4-Trifluoro-1-(4-hydroxy-4-methylazepan-1-yl)butan-1-one
CID 107406458
1-(4-Hydroxy-4-methylazepan-1-yl)ethanone
CID 107406154
Ethane;1-(4-hydroxy-4-methylazepan-1-yl)ethanone
CID 164549008
1-[(4R)-4-hydroxy-4-methylazepan-1-yl]ethanone
CID 167233476
(4R)-4-hydroxy-4-methyl-1-pyrrolidin-1-ylhexan-1-one
CID 168982413
5-Ethyl-1-(3-hydroxybutyl)azepan-2-one
CID 64342186
5-Ethyl-1-(4-hydroxypentyl)azepan-2-one
CID 64342377
4-(5-Ethyl-2-oxoazepan-1-yl)butanoic acid
CID 64342751
5-Ethyl-1-(3-hydroxypropyl)azepan-2-one
CID 64344588
5-Ethyl-1-(4-hydroxybutyl)azepan-2-one
CID 64344781
1-(3-Hydroxybutyl)-5-methylazepan-2-one
CID 64345100

Frequently Asked Questions

What is the IUPAC name of cyclopentyl-(4-hydroxy-4-methylazepan-1-yl)methanone?
The IUPAC name of cyclopentyl-(4-hydroxy-4-methylazepan-1-yl)methanone (CID 107406748) is cyclopentyl-(4-hydroxy-4-methylazepan-1-yl)methanone.
What is the SMILES notation for cyclopentyl-(4-hydroxy-4-methylazepan-1-yl)methanone?
The canonical SMILES for cyclopentyl-(4-hydroxy-4-methylazepan-1-yl)methanone is CC1(O)CCCN(C(=O)C2CCCC2)CC1.
What is the InChIKey of cyclopentyl-(4-hydroxy-4-methylazepan-1-yl)methanone?
The InChIKey is QZGZZZUPOVJWMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2/c1-13(16)7-4-9-14(10-8-13)12(15)11-5-2-3-6-11/h11,16H,2-10H2,1H3.
What are the key properties of cyclopentyl-(4-hydroxy-4-methylazepan-1-yl)methanone?
cyclopentyl-(4-hydroxy-4-methylazepan-1-yl)methanone has a molecular weight of 225.33 g/mol, XLogP of 1.94, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl-(4-hydroxy-4-methylazepan-1-yl)methanone is sourced from PubChem (CID 107406748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).