3-(2-ethylpyrrolidin-1-yl)cyclohex-2-en-1-one

C12H19NO — CID 67953819

IUPAC3-(2-ethylpyrrolidin-1-yl)cyclohex-2-en-1-one
SMILESCCC1CCCN1C1=CC(=O)CCC1
InChIInChI=1S/C12H19NO/c1-2-10-6-4-8-13(10)11-5-3-7-12(14)9-11/h9-10H,2-8H2,1H3
InChIKeyRVYGCQFIQPAVPG-UHFFFAOYSA-N
MW193.29 g/mol
LogP2.50
Rot. Bonds2

About 3-(2-ethylpyrrolidin-1-yl)cyclohex-2-en-1-one

3-(2-ethylpyrrolidin-1-yl)cyclohex-2-en-1-one (PubChem CID 67953819) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is 3-(2-ethylpyrrolidin-1-yl)cyclohex-2-en-1-one.

Molecular Properties

Compound Name3-(2-ethylpyrrolidin-1-yl)cyclohex-2-en-1-one
PubChem CID67953819
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name3-(2-ethylpyrrolidin-1-yl)cyclohex-2-en-1-one
SMILESCCC1CCCN1C1=CC(=O)CCC1
InChIInChI=1S/C12H19NO/c1-2-10-6-4-8-13(10)11-5-3-7-12(14)9-11/h9-10H,2-8H2,1H3
InChIKeyRVYGCQFIQPAVPG-UHFFFAOYSA-N
XLogP2.50
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2-ethylpyrrolidin-1-yl)cyclohex-2-en-1-one?
The IUPAC name of 3-(2-ethylpyrrolidin-1-yl)cyclohex-2-en-1-one (CID 67953819) is 3-(2-ethylpyrrolidin-1-yl)cyclohex-2-en-1-one.
What is the SMILES notation for 3-(2-ethylpyrrolidin-1-yl)cyclohex-2-en-1-one?
The canonical SMILES for 3-(2-ethylpyrrolidin-1-yl)cyclohex-2-en-1-one is CCC1CCCN1C1=CC(=O)CCC1.
What is the InChIKey of 3-(2-ethylpyrrolidin-1-yl)cyclohex-2-en-1-one?
The InChIKey is RVYGCQFIQPAVPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO/c1-2-10-6-4-8-13(10)11-5-3-7-12(14)9-11/h9-10H,2-8H2,1H3.
What are the key properties of 3-(2-ethylpyrrolidin-1-yl)cyclohex-2-en-1-one?
3-(2-ethylpyrrolidin-1-yl)cyclohex-2-en-1-one has a molecular weight of 193.29 g/mol, XLogP of 2.50, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethylpyrrolidin-1-yl)cyclohex-2-en-1-one is sourced from PubChem (CID 67953819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).