cyclooctyl-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone

C15H27NO2 — CID 112627515

IUPACcyclooctyl-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone
SMILESCC(O)C1CCN(C(=O)C2CCCCCCC2)C1
InChIInChI=1S/C15H27NO2/c1-12(17)14-9-10-16(11-14)15(18)13-7-5-3-2-4-6-8-13/h12-14,17H,2-11H2,1H3
InChIKeyHUSWMEHZPJZRAP-UHFFFAOYSA-N
MW253.39 g/mol
LogP2.58
Rot. Bonds2

About cyclooctyl-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone

cyclooctyl-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone (PubChem CID 112627515) has the molecular formula C15H27NO2 and a molecular weight of 253.39 g/mol. Its IUPAC name is cyclooctyl-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Namecyclooctyl-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone
PubChem CID112627515
Molecular FormulaC15H27NO2
Molecular Weight253.39 g/mol
Exact Mass253.20
IUPAC Namecyclooctyl-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone
SMILESCC(O)C1CCN(C(=O)C2CCCCCCC2)C1
InChIInChI=1S/C15H27NO2/c1-12(17)14-9-10-16(11-14)15(18)13-7-5-3-2-4-6-8-13/h12-14,17H,2-11H2,1H3
InChIKeyHUSWMEHZPJZRAP-UHFFFAOYSA-N
XLogP2.58
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[3-(1-hydroxyethyl)pyrrolidin-1-yl]-(4-propan-2-ylcyclohexyl)methanone
CID 110023300
[3-(1-aminoethyl)pyrrolidin-1-yl]-cyclooctylmethanone
CID 112630786
1-[4-[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]piperidin-1-yl]-2-methylpropan-1-one
CID 115966230
3-[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]cyclohexane-1-carboxylic acid
CID 112627138
cycloheptyl-(4-propan-2-ylpiperidin-1-yl)methanone
CID 155764605
[3-(aminomethyl)cyclohexyl]-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 112629313
[3-(1-hydroxyethyl)pyrrolidin-1-yl]-(thiolan-3-yl)methanone
CID 112627314
(2-aminocyclohexyl)-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 112625202
[3-(1-aminoethyl)piperidin-1-yl]-cycloheptylmethanone;hydrochloride
CID 119595993
[3-(1-aminoethyl)piperidin-1-yl]-cyclohexylmethanone;hydrochloride
CID 119260950
[3-(1-aminoethyl)pyrrolidin-1-yl]-cyclopropylmethanone
CID 112630526
azepan-1-yl-[4-(1-hydroxyethyl)piperidin-1-yl]methanone
CID 106835725

Frequently Asked Questions

What is the IUPAC name of cyclooctyl-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone?
The IUPAC name of cyclooctyl-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone (CID 112627515) is cyclooctyl-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for cyclooctyl-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for cyclooctyl-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone is CC(O)C1CCN(C(=O)C2CCCCCCC2)C1.
What is the InChIKey of cyclooctyl-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone?
The InChIKey is HUSWMEHZPJZRAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO2/c1-12(17)14-9-10-16(11-14)15(18)13-7-5-3-2-4-6-8-13/h12-14,17H,2-11H2,1H3.
What are the key properties of cyclooctyl-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone?
cyclooctyl-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone has a molecular weight of 253.39 g/mol, XLogP of 2.58, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclooctyl-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 112627515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).