(2-ethylpyrrolidin-2-yl)-(4-propoxyphenyl)methanone

C16H23NO2 — CID 116608174

IUPAC(2-ethylpyrrolidin-2-yl)-(4-propoxyphenyl)methanone
SMILESCCCOc1ccc(C(=O)C2(CC)CCCN2)cc1
InChIInChI=1S/C16H23NO2/c1-3-12-19-14-8-6-13(7-9-14)15(18)16(4-2)10-5-11-17-16/h6-9,17H,3-5,10-12H2,1-2H3
InChIKeyLEFQAZLJIYDMCZ-UHFFFAOYSA-N
MW261.37 g/mol
LogP3.19
Rot. Bonds6

About (2-ethylpyrrolidin-2-yl)-(4-propoxyphenyl)methanone

(2-ethylpyrrolidin-2-yl)-(4-propoxyphenyl)methanone (PubChem CID 116608174) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is (2-ethylpyrrolidin-2-yl)-(4-propoxyphenyl)methanone.

Molecular Properties

Compound Name(2-ethylpyrrolidin-2-yl)-(4-propoxyphenyl)methanone
PubChem CID116608174
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Name(2-ethylpyrrolidin-2-yl)-(4-propoxyphenyl)methanone
SMILESCCCOc1ccc(C(=O)C2(CC)CCCN2)cc1
InChIInChI=1S/C16H23NO2/c1-3-12-19-14-8-6-13(7-9-14)15(18)16(4-2)10-5-11-17-16/h6-9,17H,3-5,10-12H2,1-2H3
InChIKeyLEFQAZLJIYDMCZ-UHFFFAOYSA-N
XLogP3.19
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-ethylpyrrolidin-2-yl)-(4-methylphenyl)methanone
CID 116608082
(2-ethylpyrrolidin-2-yl)-(4-propylphenyl)methanone
CID 116608056
(2-ethylpyrrolidin-2-yl)-phenylmethanone
CID 116608161
(4-propoxyphenyl)-(3-propylpiperidin-3-yl)methanone
CID 116569714
(4-methylphenyl)-(2-propylpyrrolidin-2-yl)methanone
CID 106976718
(4-propoxyphenyl)-(3-propylpyrrolidin-3-yl)methanone
CID 116570590
3,4-dihydro-2H-1,5-benzodioxepin-7-yl-(2-ethylpyrrolidin-2-yl)methanone
CID 116608177
(2-ethylpyrrolidin-2-yl)-(5-methoxy-3-pyridinyl)methanone
CID 116608155
(2-ethylpyrrolidin-2-yl)-(furan-2-yl)methanone
CID 116608283
[4-(aminomethyl)oxan-4-yl]-(4-propoxyphenyl)methanone
CID 116603107
(2,3-difluoro-4-methylphenyl)-(2-ethylpyrrolidin-2-yl)methanone
CID 107515000
2-(1-aminocyclobutyl)-1-(4-propoxyphenyl)ethanone
CID 116591254

Frequently Asked Questions

What is the IUPAC name of (2-ethylpyrrolidin-2-yl)-(4-propoxyphenyl)methanone?
The IUPAC name of (2-ethylpyrrolidin-2-yl)-(4-propoxyphenyl)methanone (CID 116608174) is (2-ethylpyrrolidin-2-yl)-(4-propoxyphenyl)methanone.
What is the SMILES notation for (2-ethylpyrrolidin-2-yl)-(4-propoxyphenyl)methanone?
The canonical SMILES for (2-ethylpyrrolidin-2-yl)-(4-propoxyphenyl)methanone is CCCOc1ccc(C(=O)C2(CC)CCCN2)cc1.
What is the InChIKey of (2-ethylpyrrolidin-2-yl)-(4-propoxyphenyl)methanone?
The InChIKey is LEFQAZLJIYDMCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-3-12-19-14-8-6-13(7-9-14)15(18)16(4-2)10-5-11-17-16/h6-9,17H,3-5,10-12H2,1-2H3.
What are the key properties of (2-ethylpyrrolidin-2-yl)-(4-propoxyphenyl)methanone?
(2-ethylpyrrolidin-2-yl)-(4-propoxyphenyl)methanone has a molecular weight of 261.37 g/mol, XLogP of 3.19, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethylpyrrolidin-2-yl)-(4-propoxyphenyl)methanone is sourced from PubChem (CID 116608174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).