1-(3-ethoxycyclobutyl)-3-pyridin-4-ylpropan-2-one

C14H19NO2 — CID 103164289

IUPAC1-(3-ethoxycyclobutyl)-3-pyridin-4-ylpropan-2-one
SMILESCCOC1CC(CC(=O)Cc2ccncc2)C1
InChIInChI=1S/C14H19NO2/c1-2-17-14-9-12(10-14)8-13(16)7-11-3-5-15-6-4-11/h3-6,12,14H,2,7-10H2,1H3
InChIKeyKFPXXVMPEAUIOU-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.40
Rot. Bonds6

About 1-(3-ethoxycyclobutyl)-3-pyridin-4-ylpropan-2-one

1-(3-ethoxycyclobutyl)-3-pyridin-4-ylpropan-2-one (PubChem CID 103164289) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 1-(3-ethoxycyclobutyl)-3-pyridin-4-ylpropan-2-one.

Molecular Properties

Compound Name1-(3-ethoxycyclobutyl)-3-pyridin-4-ylpropan-2-one
PubChem CID103164289
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name1-(3-ethoxycyclobutyl)-3-pyridin-4-ylpropan-2-one
SMILESCCOC1CC(CC(=O)Cc2ccncc2)C1
InChIInChI=1S/C14H19NO2/c1-2-17-14-9-12(10-14)8-13(16)7-11-3-5-15-6-4-11/h3-6,12,14H,2,7-10H2,1H3
InChIKeyKFPXXVMPEAUIOU-UHFFFAOYSA-N
XLogP2.40
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,4-dimethoxyphenyl)-3-(3-ethoxycyclobutyl)propan-2-one
CID 103164062
1-(oxan-4-yl)-3-pyridin-4-ylpropan-2-one
CID 62622675
1-(5-chlorothiophen-2-yl)-3-(3-ethoxycyclobutyl)propan-2-one
CID 103167780
1-(1-butan-2-ylpyrazol-3-yl)-3-(3-ethoxycyclobutyl)propan-2-one
CID 103167885
1-(3-ethoxycyclobutyl)-3-(1-methylbenzimidazol-2-yl)propan-2-one
CID 103167962
2-(3-ethoxycyclobutyl)-1-isoquinolin-8-ylethanone
CID 103168190
2-[4-[[2-(3-ethoxycyclobutyl)acetyl]amino]phenyl]acetic acid
CID 103161737
N-[2-(chloromethyl)phenyl]-2-(3-ethoxycyclobutyl)acetamide
CID 103166704
ethyl 2-piperidin-4-ylacetate;ethyl 2-pyridin-4-ylacetate
CID 157278253
N-(3-amino-4-ethylphenyl)-2-(3-ethoxycyclobutyl)acetamide
CID 103161581
2-(3-ethoxycyclobutyl)-1-(1-methylimidazol-2-yl)ethanone
CID 103167849
2-(N-[2-(3-ethoxycyclobutyl)acetyl]anilino)acetic acid
CID 103161788

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethoxycyclobutyl)-3-pyridin-4-ylpropan-2-one?
The IUPAC name of 1-(3-ethoxycyclobutyl)-3-pyridin-4-ylpropan-2-one (CID 103164289) is 1-(3-ethoxycyclobutyl)-3-pyridin-4-ylpropan-2-one.
What is the SMILES notation for 1-(3-ethoxycyclobutyl)-3-pyridin-4-ylpropan-2-one?
The canonical SMILES for 1-(3-ethoxycyclobutyl)-3-pyridin-4-ylpropan-2-one is CCOC1CC(CC(=O)Cc2ccncc2)C1.
What is the InChIKey of 1-(3-ethoxycyclobutyl)-3-pyridin-4-ylpropan-2-one?
The InChIKey is KFPXXVMPEAUIOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-2-17-14-9-12(10-14)8-13(16)7-11-3-5-15-6-4-11/h3-6,12,14H,2,7-10H2,1H3.
What are the key properties of 1-(3-ethoxycyclobutyl)-3-pyridin-4-ylpropan-2-one?
1-(3-ethoxycyclobutyl)-3-pyridin-4-ylpropan-2-one has a molecular weight of 233.31 g/mol, XLogP of 2.40, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethoxycyclobutyl)-3-pyridin-4-ylpropan-2-one is sourced from PubChem (CID 103164289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).