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

C17H29NO — CID 79543796

IUPAC2-[1-(2-ethylcyclohexyl)pyrrolidin-2-yl]cyclopentan-1-one
SMILESCCC1CCCCC1N1CCCC1C1CCCC1=O
InChIInChI=1S/C17H29NO/c1-2-13-7-3-4-9-15(13)18-12-6-10-16(18)14-8-5-11-17(14)19/h13-16H,2-12H2,1H3
InChIKeyBTOITEBHAGZFPE-UHFFFAOYSA-N
MW263.42 g/mol
LogP3.79
Rot. Bonds3

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

2-[1-(2-ethylcyclohexyl)pyrrolidin-2-yl]cyclopentan-1-one (PubChem CID 79543796) has the molecular formula C17H29NO and a molecular weight of 263.42 g/mol. Its IUPAC name is 2-[1-(2-ethylcyclohexyl)pyrrolidin-2-yl]cyclopentan-1-one.

Molecular Properties

Compound Name2-[1-(2-ethylcyclohexyl)pyrrolidin-2-yl]cyclopentan-1-one
PubChem CID79543796
Molecular FormulaC17H29NO
Molecular Weight263.42 g/mol
Exact Mass263.22
IUPAC Name2-[1-(2-ethylcyclohexyl)pyrrolidin-2-yl]cyclopentan-1-one
SMILESCCC1CCCCC1N1CCCC1C1CCCC1=O
InChIInChI=1S/C17H29NO/c1-2-13-7-3-4-9-15(13)18-12-6-10-16(18)14-8-5-11-17(14)19/h13-16H,2-12H2,1H3
InChIKeyBTOITEBHAGZFPE-UHFFFAOYSA-N
XLogP3.79
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.42
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-ethylcyclohexyl)pyrrolidin-2-yl]cyclopentan-1-one?
The IUPAC name of 2-[1-(2-ethylcyclohexyl)pyrrolidin-2-yl]cyclopentan-1-one (CID 79543796) is 2-[1-(2-ethylcyclohexyl)pyrrolidin-2-yl]cyclopentan-1-one.
What is the SMILES notation for 2-[1-(2-ethylcyclohexyl)pyrrolidin-2-yl]cyclopentan-1-one?
The canonical SMILES for 2-[1-(2-ethylcyclohexyl)pyrrolidin-2-yl]cyclopentan-1-one is CCC1CCCCC1N1CCCC1C1CCCC1=O.
What is the InChIKey of 2-[1-(2-ethylcyclohexyl)pyrrolidin-2-yl]cyclopentan-1-one?
The InChIKey is BTOITEBHAGZFPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO/c1-2-13-7-3-4-9-15(13)18-12-6-10-16(18)14-8-5-11-17(14)19/h13-16H,2-12H2,1H3.
What are the key properties of 2-[1-(2-ethylcyclohexyl)pyrrolidin-2-yl]cyclopentan-1-one?
2-[1-(2-ethylcyclohexyl)pyrrolidin-2-yl]cyclopentan-1-one has a molecular weight of 263.42 g/mol, XLogP of 3.79, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-ethylcyclohexyl)pyrrolidin-2-yl]cyclopentan-1-one is sourced from PubChem (CID 79543796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).