(4-propoxyphenyl)-(3-propylpyrrolidin-3-yl)methanone

C17H25NO2 — CID 116570590

IUPAC(4-propoxyphenyl)-(3-propylpyrrolidin-3-yl)methanone
SMILESCCCOc1ccc(C(=O)C2(CCC)CCNC2)cc1
InChIInChI=1S/C17H25NO2/c1-3-9-17(10-11-18-13-17)16(19)14-5-7-15(8-6-14)20-12-4-2/h5-8,18H,3-4,9-13H2,1-2H3
InChIKeyWIRZYLWLVRZGIG-UHFFFAOYSA-N
MW275.39 g/mol
LogP3.44
Rot. Bonds7

About (4-propoxyphenyl)-(3-propylpyrrolidin-3-yl)methanone

(4-propoxyphenyl)-(3-propylpyrrolidin-3-yl)methanone (PubChem CID 116570590) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is (4-propoxyphenyl)-(3-propylpyrrolidin-3-yl)methanone.

Molecular Properties

Compound Name(4-propoxyphenyl)-(3-propylpyrrolidin-3-yl)methanone
PubChem CID116570590
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name(4-propoxyphenyl)-(3-propylpyrrolidin-3-yl)methanone
SMILESCCCOc1ccc(C(=O)C2(CCC)CCNC2)cc1
InChIInChI=1S/C17H25NO2/c1-3-9-17(10-11-18-13-17)16(19)14-5-7-15(8-6-14)20-12-4-2/h5-8,18H,3-4,9-13H2,1-2H3
InChIKeyWIRZYLWLVRZGIG-UHFFFAOYSA-N
XLogP3.44
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-propoxyphenyl)-(3-propylpiperidin-3-yl)methanone
CID 116569714
(4-cyclobutylphenyl)-(3-propylpyrrolidin-3-yl)methanone
CID 116570705
bis((3,4-dichlorophenyl)-[(3S)-3-propylpyrrolidin-3-yl]methanone);methane;hydrochloride;hydroiodide
CID 169427811
[4-(aminomethyl)oxan-4-yl]-(4-propoxyphenyl)methanone
CID 116603107
(2-ethylpyrrolidin-2-yl)-(4-propoxyphenyl)methanone
CID 116608174
(2-fluoro-4-methoxyphenyl)-(3-propylpyrrolidin-3-yl)methanone
CID 103397099
(4-chloro-3-methoxyphenyl)-(3-propylpiperidin-3-yl)methanone
CID 59744940
(3,4-dimethoxyphenyl)-(4-propylpiperidin-4-yl)methanone
CID 116569157
2-propoxy-1-(3-propylpyrrolidin-3-yl)ethanone
CID 116570636
(7-fluoro-1H-indol-5-yl)-[(3S)-3-propylpyrrolidin-3-yl]methanone
CID 59744843
(3-propylpyrrolidin-3-yl)-thiophen-2-ylmethanone
CID 67327801
2,3-dihydro-1,4-benzodioxin-6-yl-(3-propylpiperidin-3-yl)methanone
CID 116569748

Frequently Asked Questions

What is the IUPAC name of (4-propoxyphenyl)-(3-propylpyrrolidin-3-yl)methanone?
The IUPAC name of (4-propoxyphenyl)-(3-propylpyrrolidin-3-yl)methanone (CID 116570590) is (4-propoxyphenyl)-(3-propylpyrrolidin-3-yl)methanone.
What is the SMILES notation for (4-propoxyphenyl)-(3-propylpyrrolidin-3-yl)methanone?
The canonical SMILES for (4-propoxyphenyl)-(3-propylpyrrolidin-3-yl)methanone is CCCOc1ccc(C(=O)C2(CCC)CCNC2)cc1.
What is the InChIKey of (4-propoxyphenyl)-(3-propylpyrrolidin-3-yl)methanone?
The InChIKey is WIRZYLWLVRZGIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-3-9-17(10-11-18-13-17)16(19)14-5-7-15(8-6-14)20-12-4-2/h5-8,18H,3-4,9-13H2,1-2H3.
What are the key properties of (4-propoxyphenyl)-(3-propylpyrrolidin-3-yl)methanone?
(4-propoxyphenyl)-(3-propylpyrrolidin-3-yl)methanone has a molecular weight of 275.39 g/mol, XLogP of 3.44, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-propoxyphenyl)-(3-propylpyrrolidin-3-yl)methanone is sourced from PubChem (CID 116570590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).