1-(3-ethylcyclopentyl)-2-pyridin-3-ylethanone

C14H19NO — CID 104735977

IUPAC1-(3-ethylcyclopentyl)-2-pyridin-3-ylethanone
SMILESCCC1CCC(C(=O)Cc2cccnc2)C1
InChIInChI=1S/C14H19NO/c1-2-11-5-6-13(8-11)14(16)9-12-4-3-7-15-10-12/h3-4,7,10-11,13H,2,5-6,8-9H2,1H3
InChIKeySIDWNYPWXLRHIV-UHFFFAOYSA-N
MW217.31 g/mol
LogP3.02
Rot. Bonds4

About 1-(3-ethylcyclopentyl)-2-pyridin-3-ylethanone

1-(3-ethylcyclopentyl)-2-pyridin-3-ylethanone (PubChem CID 104735977) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is 1-(3-ethylcyclopentyl)-2-pyridin-3-ylethanone.

Molecular Properties

Compound Name1-(3-ethylcyclopentyl)-2-pyridin-3-ylethanone
PubChem CID104735977
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name1-(3-ethylcyclopentyl)-2-pyridin-3-ylethanone
SMILESCCC1CCC(C(=O)Cc2cccnc2)C1
InChIInChI=1S/C14H19NO/c1-2-11-5-6-13(8-11)14(16)9-12-4-3-7-15-10-12/h3-4,7,10-11,13H,2,5-6,8-9H2,1H3
InChIKeySIDWNYPWXLRHIV-UHFFFAOYSA-N
XLogP3.02
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-butylcyclohexyl)-2-pyridin-3-ylethanone
CID 115798988
1-(3-bicyclo[3.1.0]hexanyl)-2-pyridin-3-ylethanone
CID 115799097
1-piperidin-4-yl-2-pyridin-3-ylethanone
CID 83687076
1-(3-ethylcyclopentyl)-2-(4-propan-2-ylphenyl)ethanone
CID 65409288
4-(pyridin-3-ylmethyl)cyclohexane-1-carboxylic acid
CID 83822125
2-pyridin-3-yl-1-(2,2,3,3-tetramethylcyclopropyl)ethanone
CID 115799056
3-[(2-pyridin-3-ylacetyl)amino]cyclopentane-1-carboxylic acid
CID 66032903
1-[4-ethyl-2-(pyridin-3-ylmethyl)cyclohexyl]-N-methylmethanamine
CID 113447096
4-methyl-N-[[4-[[(2-pyridin-3-ylacetyl)amino]methyl]cyclohexyl]methyl]cyclohexane-1-carboxamide
CID 167992062
CID 66868100
CID 66868100
2-pyridin-3-ylacetyl chloride
CID 14697475
1-[(1S,2S)-2-pyridin-3-ylcyclopropyl]propan-1-one
CID 138715755

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethylcyclopentyl)-2-pyridin-3-ylethanone?
The IUPAC name of 1-(3-ethylcyclopentyl)-2-pyridin-3-ylethanone (CID 104735977) is 1-(3-ethylcyclopentyl)-2-pyridin-3-ylethanone.
What is the SMILES notation for 1-(3-ethylcyclopentyl)-2-pyridin-3-ylethanone?
The canonical SMILES for 1-(3-ethylcyclopentyl)-2-pyridin-3-ylethanone is CCC1CCC(C(=O)Cc2cccnc2)C1.
What is the InChIKey of 1-(3-ethylcyclopentyl)-2-pyridin-3-ylethanone?
The InChIKey is SIDWNYPWXLRHIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO/c1-2-11-5-6-13(8-11)14(16)9-12-4-3-7-15-10-12/h3-4,7,10-11,13H,2,5-6,8-9H2,1H3.
What are the key properties of 1-(3-ethylcyclopentyl)-2-pyridin-3-ylethanone?
1-(3-ethylcyclopentyl)-2-pyridin-3-ylethanone has a molecular weight of 217.31 g/mol, XLogP of 3.02, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethylcyclopentyl)-2-pyridin-3-ylethanone is sourced from PubChem (CID 104735977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).