1-(3-hydroxypyrrolidin-1-yl)-3-(4-methoxyphenyl)propan-1-one

C14H19NO3 — CID 62917256

IUPAC1-(3-hydroxypyrrolidin-1-yl)-3-(4-methoxyphenyl)propan-1-one
SMILESCOc1ccc(CCC(=O)N2CCC(O)C2)cc1
InChIInChI=1S/C14H19NO3/c1-18-13-5-2-11(3-6-13)4-7-14(17)15-9-8-12(16)10-15/h2-3,5-6,12,16H,4,7-10H2,1H3
InChIKeyXPGIGSDDSAENMI-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.22
Rot. Bonds4

About 1-(3-hydroxypyrrolidin-1-yl)-3-(4-methoxyphenyl)propan-1-one

1-(3-hydroxypyrrolidin-1-yl)-3-(4-methoxyphenyl)propan-1-one (PubChem CID 62917256) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is 1-(3-hydroxypyrrolidin-1-yl)-3-(4-methoxyphenyl)propan-1-one.

Molecular Properties

Compound Name1-(3-hydroxypyrrolidin-1-yl)-3-(4-methoxyphenyl)propan-1-one
PubChem CID62917256
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name1-(3-hydroxypyrrolidin-1-yl)-3-(4-methoxyphenyl)propan-1-one
SMILESCOc1ccc(CCC(=O)N2CCC(O)C2)cc1
InChIInChI=1S/C14H19NO3/c1-18-13-5-2-11(3-6-13)4-7-14(17)15-9-8-12(16)10-15/h2-3,5-6,12,16H,4,7-10H2,1H3
InChIKeyXPGIGSDDSAENMI-UHFFFAOYSA-N
XLogP1.22
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-ethyl-4-hydroxypiperidin-1-yl)-3-(4-methoxyphenyl)propan-1-one
CID 114510009
1-[(3S)-3-aminopyrrolidin-1-yl]-3-(4-methoxyphenyl)propan-1-one;hydrochloride
CID 119934448
3-(4-tert-butylphenyl)-1-[(3R)-3-hydroxypyrrolidin-1-yl]propan-1-one
CID 111561168
1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-3-(4-methoxyphenyl)propan-1-one
CID 115966191
3-(4-methoxyphenyl)-1-(3-methylsulfonylpyrrolidin-1-yl)propan-1-one
CID 71805517
3-(4-methoxyphenyl)-1-[3-(methylamino)piperidin-1-yl]propan-1-one
CID 62535020
1-[4-(4-methoxybenzoyl)piperidin-1-yl]-3-(4-methoxyphenyl)propan-1-one
CID 41307378
3-(4-methoxyphenyl)-1-(4-methylsulfonylpiperidin-1-yl)propan-1-one
CID 71805673
1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-3-(4-methoxyphenyl)propan-1-one
CID 110346884
1-[(3S)-3-hydroxypyrrolidin-1-yl]-2-(4-methoxyphenyl)sulfanylethanone
CID 79029321
1-[3-(4-methoxyphenyl)propanoyl]-N,N-dimethylpiperidine-4-carboxamide
CID 110350832
1-[4-[3-(4-methoxyphenyl)propanoyl]piperazin-1-yl]butan-1-one
CID 110365914

Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxypyrrolidin-1-yl)-3-(4-methoxyphenyl)propan-1-one?
The IUPAC name of 1-(3-hydroxypyrrolidin-1-yl)-3-(4-methoxyphenyl)propan-1-one (CID 62917256) is 1-(3-hydroxypyrrolidin-1-yl)-3-(4-methoxyphenyl)propan-1-one.
What is the SMILES notation for 1-(3-hydroxypyrrolidin-1-yl)-3-(4-methoxyphenyl)propan-1-one?
The canonical SMILES for 1-(3-hydroxypyrrolidin-1-yl)-3-(4-methoxyphenyl)propan-1-one is COc1ccc(CCC(=O)N2CCC(O)C2)cc1.
What is the InChIKey of 1-(3-hydroxypyrrolidin-1-yl)-3-(4-methoxyphenyl)propan-1-one?
The InChIKey is XPGIGSDDSAENMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-18-13-5-2-11(3-6-13)4-7-14(17)15-9-8-12(16)10-15/h2-3,5-6,12,16H,4,7-10H2,1H3.
What are the key properties of 1-(3-hydroxypyrrolidin-1-yl)-3-(4-methoxyphenyl)propan-1-one?
1-(3-hydroxypyrrolidin-1-yl)-3-(4-methoxyphenyl)propan-1-one has a molecular weight of 249.31 g/mol, XLogP of 1.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxypyrrolidin-1-yl)-3-(4-methoxyphenyl)propan-1-one is sourced from PubChem (CID 62917256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).