2-(2-ethylpyrrolidin-1-yl)cycloheptan-1-one

C13H23NO — CID 60974788

IUPAC2-(2-ethylpyrrolidin-1-yl)cycloheptan-1-one
SMILESCCC1CCCN1C1CCCCCC1=O
InChIInChI=1S/C13H23NO/c1-2-11-7-6-10-14(11)12-8-4-3-5-9-13(12)15/h11-12H,2-10H2,1H3
InChIKeyROMJZGBAJSWCKO-UHFFFAOYSA-N
MW209.33 g/mol
LogP2.76
Rot. Bonds2

About 2-(2-ethylpyrrolidin-1-yl)cycloheptan-1-one

2-(2-ethylpyrrolidin-1-yl)cycloheptan-1-one (PubChem CID 60974788) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is 2-(2-ethylpyrrolidin-1-yl)cycloheptan-1-one.

Molecular Properties

Compound Name2-(2-ethylpyrrolidin-1-yl)cycloheptan-1-one
PubChem CID60974788
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Name2-(2-ethylpyrrolidin-1-yl)cycloheptan-1-one
SMILESCCC1CCCN1C1CCCCCC1=O
InChIInChI=1S/C13H23NO/c1-2-11-7-6-10-14(11)12-8-4-3-5-9-13(12)15/h11-12H,2-10H2,1H3
InChIKeyROMJZGBAJSWCKO-UHFFFAOYSA-N
XLogP2.76
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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

What is the IUPAC name of 2-(2-ethylpyrrolidin-1-yl)cycloheptan-1-one?
The IUPAC name of 2-(2-ethylpyrrolidin-1-yl)cycloheptan-1-one (CID 60974788) is 2-(2-ethylpyrrolidin-1-yl)cycloheptan-1-one.
What is the SMILES notation for 2-(2-ethylpyrrolidin-1-yl)cycloheptan-1-one?
The canonical SMILES for 2-(2-ethylpyrrolidin-1-yl)cycloheptan-1-one is CCC1CCCN1C1CCCCCC1=O.
What is the InChIKey of 2-(2-ethylpyrrolidin-1-yl)cycloheptan-1-one?
The InChIKey is ROMJZGBAJSWCKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO/c1-2-11-7-6-10-14(11)12-8-4-3-5-9-13(12)15/h11-12H,2-10H2,1H3.
What are the key properties of 2-(2-ethylpyrrolidin-1-yl)cycloheptan-1-one?
2-(2-ethylpyrrolidin-1-yl)cycloheptan-1-one has a molecular weight of 209.33 g/mol, XLogP of 2.76, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylpyrrolidin-1-yl)cycloheptan-1-one is sourced from PubChem (CID 60974788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).