2-[1-(2-hydroxycycloheptyl)pyrrolidin-2-yl]cyclopentan-1-one

C16H27NO2 — CID 79544180

IUPAC2-[1-(2-hydroxycycloheptyl)pyrrolidin-2-yl]cyclopentan-1-one
SMILESO=C1CCCC1C1CCCN1C1CCCCCC1O
InChIInChI=1S/C16H27NO2/c18-15-10-4-6-12(15)13-8-5-11-17(13)14-7-2-1-3-9-16(14)19/h12-14,16,19H,1-11H2
InChIKeyRLXBQEBGTAEPJQ-UHFFFAOYSA-N
MW265.40 g/mol
LogP2.51
Rot. Bonds2

About 2-[1-(2-hydroxycycloheptyl)pyrrolidin-2-yl]cyclopentan-1-one

2-[1-(2-hydroxycycloheptyl)pyrrolidin-2-yl]cyclopentan-1-one (PubChem CID 79544180) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is 2-[1-(2-hydroxycycloheptyl)pyrrolidin-2-yl]cyclopentan-1-one.

Molecular Properties

Compound Name2-[1-(2-hydroxycycloheptyl)pyrrolidin-2-yl]cyclopentan-1-one
PubChem CID79544180
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC Name2-[1-(2-hydroxycycloheptyl)pyrrolidin-2-yl]cyclopentan-1-one
SMILESO=C1CCCC1C1CCCN1C1CCCCCC1O
InChIInChI=1S/C16H27NO2/c18-15-10-4-6-12(15)13-8-5-11-17(13)14-7-2-1-3-9-16(14)19/h12-14,16,19H,1-11H2
InChIKeyRLXBQEBGTAEPJQ-UHFFFAOYSA-N
XLogP2.51
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-hydroxycycloheptyl)pyrrolidin-2-yl]cyclopentan-1-one?
The IUPAC name of 2-[1-(2-hydroxycycloheptyl)pyrrolidin-2-yl]cyclopentan-1-one (CID 79544180) is 2-[1-(2-hydroxycycloheptyl)pyrrolidin-2-yl]cyclopentan-1-one.
What is the SMILES notation for 2-[1-(2-hydroxycycloheptyl)pyrrolidin-2-yl]cyclopentan-1-one?
The canonical SMILES for 2-[1-(2-hydroxycycloheptyl)pyrrolidin-2-yl]cyclopentan-1-one is O=C1CCCC1C1CCCN1C1CCCCCC1O.
What is the InChIKey of 2-[1-(2-hydroxycycloheptyl)pyrrolidin-2-yl]cyclopentan-1-one?
The InChIKey is RLXBQEBGTAEPJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2/c18-15-10-4-6-12(15)13-8-5-11-17(13)14-7-2-1-3-9-16(14)19/h12-14,16,19H,1-11H2.
What are the key properties of 2-[1-(2-hydroxycycloheptyl)pyrrolidin-2-yl]cyclopentan-1-one?
2-[1-(2-hydroxycycloheptyl)pyrrolidin-2-yl]cyclopentan-1-one has a molecular weight of 265.40 g/mol, XLogP of 2.51, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-hydroxycycloheptyl)pyrrolidin-2-yl]cyclopentan-1-one is sourced from PubChem (CID 79544180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).