1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-2-phenylethanone

C15H21NO2 — CID 62469494

IUPAC1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-2-phenylethanone
SMILESO=C(Cc1ccccc1)N1CCCC1CCCO
InChIInChI=1S/C15H21NO2/c17-11-5-9-14-8-4-10-16(14)15(18)12-13-6-2-1-3-7-13/h1-3,6-7,14,17H,4-5,8-12H2
InChIKeyJHUQTJNXCYRDPF-UHFFFAOYSA-N
MW247.34 g/mol
LogP1.99
Rot. Bonds5

About 1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-2-phenylethanone

1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-2-phenylethanone (PubChem CID 62469494) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-2-phenylethanone.

Molecular Properties

Compound Name1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-2-phenylethanone
PubChem CID62469494
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-2-phenylethanone
SMILESO=C(Cc1ccccc1)N1CCCC1CCCO
InChIInChI=1S/C15H21NO2/c17-11-5-9-14-8-4-10-16(14)15(18)12-13-6-2-1-3-7-13/h1-3,6-7,14,17H,4-5,8-12H2
InChIKeyJHUQTJNXCYRDPF-UHFFFAOYSA-N
XLogP1.99
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-hydroxyphenyl)-1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]ethanone
CID 80740881
2-amino-1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-3-phenylpropan-1-one
CID 62478502
1-[(2R)-2-(3-hydroxypropyl)pyrrolidin-1-yl]-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butane-1,4-dione
CID 97247080
1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-2-imidazo[1,2-a]pyridin-2-ylethanone
CID 62468965
1-[2-(3-chloropropyl)pyrrolidin-1-yl]-3-phenylpropan-1-one
CID 63395803
2-amino-1-[2-(2-phenylethyl)pyrrolidin-1-yl]ethanone
CID 83630061
1-[2-(3-chloropropyl)pyrrolidin-1-yl]-4-phenylbutan-1-one
CID 63395853
N-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-2-phenylacetamide
CID 99609425
2-[2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-2-oxoethyl]sulfanylacetic acid
CID 104569851
2-phenyl-1-[2-(3-phenylprop-2-enyl)piperidin-1-yl]ethanone
CID 54418313
1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-2-phenoxypropan-1-one
CID 62469124
2-(azetidin-3-yl)-1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]ethanone
CID 64609791

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-2-phenylethanone?
The IUPAC name of 1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-2-phenylethanone (CID 62469494) is 1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-2-phenylethanone.
What is the SMILES notation for 1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-2-phenylethanone?
The canonical SMILES for 1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-2-phenylethanone is O=C(Cc1ccccc1)N1CCCC1CCCO.
What is the InChIKey of 1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-2-phenylethanone?
The InChIKey is JHUQTJNXCYRDPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c17-11-5-9-14-8-4-10-16(14)15(18)12-13-6-2-1-3-7-13/h1-3,6-7,14,17H,4-5,8-12H2.
What are the key properties of 1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-2-phenylethanone?
1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-2-phenylethanone has a molecular weight of 247.34 g/mol, XLogP of 1.99, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-2-phenylethanone is sourced from PubChem (CID 62469494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).