3-ethyl-1-(1-pyrrolidin-1-ylcyclopentyl)heptan-1-one

C18H33NO — CID 79058691

IUPAC3-ethyl-1-(1-pyrrolidin-1-ylcyclopentyl)heptan-1-one
SMILESCCCCC(CC)CC(=O)C1(N2CCCC2)CCCC1
InChIInChI=1S/C18H33NO/c1-3-5-10-16(4-2)15-17(20)18(11-6-7-12-18)19-13-8-9-14-19/h16H,3-15H2,1-2H3
InChIKeyJEEKPUVDRAZHEE-UHFFFAOYSA-N
MW279.47 g/mol
LogP4.57
Rot. Bonds8

About 3-ethyl-1-(1-pyrrolidin-1-ylcyclopentyl)heptan-1-one

3-ethyl-1-(1-pyrrolidin-1-ylcyclopentyl)heptan-1-one (PubChem CID 79058691) has the molecular formula C18H33NO and a molecular weight of 279.47 g/mol. Its IUPAC name is 3-ethyl-1-(1-pyrrolidin-1-ylcyclopentyl)heptan-1-one.

Molecular Properties

Compound Name3-ethyl-1-(1-pyrrolidin-1-ylcyclopentyl)heptan-1-one
PubChem CID79058691
Molecular FormulaC18H33NO
Molecular Weight279.47 g/mol
Exact Mass279.26
IUPAC Name3-ethyl-1-(1-pyrrolidin-1-ylcyclopentyl)heptan-1-one
SMILESCCCCC(CC)CC(=O)C1(N2CCCC2)CCCC1
InChIInChI=1S/C18H33NO/c1-3-5-10-16(4-2)15-17(20)18(11-6-7-12-18)19-13-8-9-14-19/h16H,3-15H2,1-2H3
InChIKeyJEEKPUVDRAZHEE-UHFFFAOYSA-N
XLogP4.57
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.47
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-1-(1-pyrrolidin-1-ylcyclopentyl)butan-1-one
CID 79058169
1-(1-piperidin-1-ylcyclopentyl)nonan-1-one
CID 79059235
1-(1-piperidin-1-ylcyclopentyl)butan-1-one
CID 79059234
3,6-diethyl-3-pyrrolidin-1-yldecan-4-one
CID 79068131
1-(2-ethylhexyl)cycloheptan-1-ol
CID 63406622
1-(2-ethylhexyl)cyclohexan-1-ol
CID 63409044
1-(3-aminooxolan-3-yl)-3-ethylheptan-1-one
CID 116579447
1-(3-ethylheptanoyl)piperidine-4-carboxylic acid
CID 119166750
1-butan-2-ylsulfanyl-4-ethyloctan-2-one
CID 65136738
3-methyl-1-(1-piperidin-1-ylcyclopentyl)but-3-en-1-one
CID 79179559
4-methylsulfonyl-1-(1-pyrrolidin-1-ylcyclopentyl)butan-1-one
CID 79060746
N-[(2R)-2-ethylhexyl]pyrrolidine-1-carboxamide
CID 95571619

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-(1-pyrrolidin-1-ylcyclopentyl)heptan-1-one?
The IUPAC name of 3-ethyl-1-(1-pyrrolidin-1-ylcyclopentyl)heptan-1-one (CID 79058691) is 3-ethyl-1-(1-pyrrolidin-1-ylcyclopentyl)heptan-1-one.
What is the SMILES notation for 3-ethyl-1-(1-pyrrolidin-1-ylcyclopentyl)heptan-1-one?
The canonical SMILES for 3-ethyl-1-(1-pyrrolidin-1-ylcyclopentyl)heptan-1-one is CCCCC(CC)CC(=O)C1(N2CCCC2)CCCC1.
What is the InChIKey of 3-ethyl-1-(1-pyrrolidin-1-ylcyclopentyl)heptan-1-one?
The InChIKey is JEEKPUVDRAZHEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33NO/c1-3-5-10-16(4-2)15-17(20)18(11-6-7-12-18)19-13-8-9-14-19/h16H,3-15H2,1-2H3.
What are the key properties of 3-ethyl-1-(1-pyrrolidin-1-ylcyclopentyl)heptan-1-one?
3-ethyl-1-(1-pyrrolidin-1-ylcyclopentyl)heptan-1-one has a molecular weight of 279.47 g/mol, XLogP of 4.57, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-(1-pyrrolidin-1-ylcyclopentyl)heptan-1-one is sourced from PubChem (CID 79058691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).