(5-ethoxy-3-pyridinyl)-(2-methylcyclopentyl)methanone

C14H19NO2 — CID 107187365

IUPAC(5-ethoxy-3-pyridinyl)-(2-methylcyclopentyl)methanone
SMILESCCOc1cncc(C(=O)C2CCCC2C)c1
InChIInChI=1S/C14H19NO2/c1-3-17-12-7-11(8-15-9-12)14(16)13-6-4-5-10(13)2/h7-10,13H,3-6H2,1-2H3
InChIKeyBRSNUSQFTCUZKT-UHFFFAOYSA-N
MW233.31 g/mol
LogP3.10
Rot. Bonds4

About (5-ethoxy-3-pyridinyl)-(2-methylcyclopentyl)methanone

(5-ethoxy-3-pyridinyl)-(2-methylcyclopentyl)methanone (PubChem CID 107187365) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is (5-ethoxy-3-pyridinyl)-(2-methylcyclopentyl)methanone.

Molecular Properties

Compound Name(5-ethoxy-3-pyridinyl)-(2-methylcyclopentyl)methanone
PubChem CID107187365
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name(5-ethoxy-3-pyridinyl)-(2-methylcyclopentyl)methanone
SMILESCCOc1cncc(C(=O)C2CCCC2C)c1
InChIInChI=1S/C14H19NO2/c1-3-17-12-7-11(8-15-9-12)14(16)13-6-4-5-10(13)2/h7-10,13H,3-6H2,1-2H3
InChIKeyBRSNUSQFTCUZKT-UHFFFAOYSA-N
XLogP3.10
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2-methylcyclopentyl)-(5-propan-2-yloxy-3-pyridinyl)methanone
CID 107187372
(5-ethoxy-3-pyridinyl)-[3-(trifluoromethyl)cyclohexyl]methanone
CID 105124093
(5-ethoxy-3-pyridinyl)-(1-hydroxy-4-methylcyclohexyl)methanone
CID 103450649
3-cyclopentyl-1-(5-ethoxy-3-pyridinyl)propan-1-one
CID 115793861
(5-ethoxy-3-pyridinyl)-[4-(propylamino)oxolan-3-yl]methanone
CID 116587893
2-cyclopropyl-1-(5-ethoxy-3-pyridinyl)-2-methoxyethanone
CID 116709078
2-(cyclopropylamino)-1-(5-ethoxy-3-pyridinyl)ethanone
CID 116555212
(2-amino-1-methylcyclopentyl)-(5-ethoxy-3-pyridinyl)methanone
CID 116607379
(5-ethoxy-3-pyridinyl)-[(1R,6S)-7-oxa-3-azabicyclo[4.1.0]heptan-3-yl]methanone
CID 124748673
[1-(aminomethyl)cycloheptyl]-(5-ethoxy-3-pyridinyl)methanone
CID 116602231
(4-ethoxyoxan-4-yl)-(5-ethoxy-3-pyridinyl)methanone
CID 116748926
(3-methyloxan-4-yl)-(5-propan-2-yloxy-3-pyridinyl)methanone
CID 114241870

Frequently Asked Questions

What is the IUPAC name of (5-ethoxy-3-pyridinyl)-(2-methylcyclopentyl)methanone?
The IUPAC name of (5-ethoxy-3-pyridinyl)-(2-methylcyclopentyl)methanone (CID 107187365) is (5-ethoxy-3-pyridinyl)-(2-methylcyclopentyl)methanone.
What is the SMILES notation for (5-ethoxy-3-pyridinyl)-(2-methylcyclopentyl)methanone?
The canonical SMILES for (5-ethoxy-3-pyridinyl)-(2-methylcyclopentyl)methanone is CCOc1cncc(C(=O)C2CCCC2C)c1.
What is the InChIKey of (5-ethoxy-3-pyridinyl)-(2-methylcyclopentyl)methanone?
The InChIKey is BRSNUSQFTCUZKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-3-17-12-7-11(8-15-9-12)14(16)13-6-4-5-10(13)2/h7-10,13H,3-6H2,1-2H3.
What are the key properties of (5-ethoxy-3-pyridinyl)-(2-methylcyclopentyl)methanone?
(5-ethoxy-3-pyridinyl)-(2-methylcyclopentyl)methanone has a molecular weight of 233.31 g/mol, XLogP of 3.10, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-ethoxy-3-pyridinyl)-(2-methylcyclopentyl)methanone is sourced from PubChem (CID 107187365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).