(3R)-1-[3-(2-phenyl-1,3-dioxolan-2-yl)propyl]pyrrolidin-3-ol

C16H23NO3 — CID 59980469

IUPAC(3R)-1-[3-(2-phenyl-1,3-dioxolan-2-yl)propyl]pyrrolidin-3-ol
SMILESO[C@@H]1CCN(CCCC2(c3ccccc3)OCCO2)C1
InChIInChI=1S/C16H23NO3/c18-15-7-10-17(13-15)9-4-8-16(19-11-12-20-16)14-5-2-1-3-6-14/h1-3,5-6,15,18H,4,7-13H2/t15-/m1/s1
InChIKeyNTMKUOFFKVIBNY-OAHLLOKOSA-N
MW277.36 g/mol
LogP1.73
Rot. Bonds5

About (3R)-1-[3-(2-phenyl-1,3-dioxolan-2-yl)propyl]pyrrolidin-3-ol

(3R)-1-[3-(2-phenyl-1,3-dioxolan-2-yl)propyl]pyrrolidin-3-ol (PubChem CID 59980469) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is (3R)-1-[3-(2-phenyl-1,3-dioxolan-2-yl)propyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name(3R)-1-[3-(2-phenyl-1,3-dioxolan-2-yl)propyl]pyrrolidin-3-ol
PubChem CID59980469
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Name(3R)-1-[3-(2-phenyl-1,3-dioxolan-2-yl)propyl]pyrrolidin-3-ol
SMILESO[C@@H]1CCN(CCCC2(c3ccccc3)OCCO2)C1
InChIInChI=1S/C16H23NO3/c18-15-7-10-17(13-15)9-4-8-16(19-11-12-20-16)14-5-2-1-3-6-14/h1-3,5-6,15,18H,4,7-13H2/t15-/m1/s1
InChIKeyNTMKUOFFKVIBNY-OAHLLOKOSA-N
XLogP1.73
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

S-[1-[3-(2-phenyl-1,3-dioxolan-2-yl)propyl]pyrrolidin-3-yl] benzenecarbothioate
CID 22436501
(4aS,8aS)-6-(4-fluorophenyl)-2-[3-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]propyl]-1,3,4,4a,5,7,8,8a-octahydroisoquinolin-6-ol
CID 54512027
4-(2-benzylphenyl)-1-[3-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]propyl]piperidine
CID 12804780
1-(3-hydroxy-3-phenylpropyl)pyrrolidin-3-ol
CID 62943227
(3R)-1-(3-hydroxypropyl)pyrrolidin-3-ol
CID 68991646
2-[2-[(3R)-3-hydroxypyrrolidin-1-yl]ethyl]isoindole-1,3-dione
CID 78963607
2-[2-(3-hydroxypyrrolidin-1-yl)ethyl]isoindole-1,3-dione
CID 62918343
(3R)-1-[(Z)-2-methyl-3-phenylprop-2-enyl]pyrrolidin-3-ol
CID 86781785
1-(4-aminobutyl)pyrrolidin-3-ol
CID 18550500
benzyl N-[5-(3-hydroxypyrrolidin-1-yl)pentyl]carbamate
CID 151856393
(3S)-1-[2-[1-(4-methylphenyl)cyclobutyl]ethyl]pyrrolidin-3-ol
CID 59019831
1-(9-bromononyl)pyrrolidin-3-ol
CID 105343751

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[3-(2-phenyl-1,3-dioxolan-2-yl)propyl]pyrrolidin-3-ol?
The IUPAC name of (3R)-1-[3-(2-phenyl-1,3-dioxolan-2-yl)propyl]pyrrolidin-3-ol (CID 59980469) is (3R)-1-[3-(2-phenyl-1,3-dioxolan-2-yl)propyl]pyrrolidin-3-ol.
What is the SMILES notation for (3R)-1-[3-(2-phenyl-1,3-dioxolan-2-yl)propyl]pyrrolidin-3-ol?
The canonical SMILES for (3R)-1-[3-(2-phenyl-1,3-dioxolan-2-yl)propyl]pyrrolidin-3-ol is O[C@@H]1CCN(CCCC2(c3ccccc3)OCCO2)C1.
What is the InChIKey of (3R)-1-[3-(2-phenyl-1,3-dioxolan-2-yl)propyl]pyrrolidin-3-ol?
The InChIKey is NTMKUOFFKVIBNY-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H23NO3/c18-15-7-10-17(13-15)9-4-8-16(19-11-12-20-16)14-5-2-1-3-6-14/h1-3,5-6,15,18H,4,7-13H2/t15-/m1/s1.
What are the key properties of (3R)-1-[3-(2-phenyl-1,3-dioxolan-2-yl)propyl]pyrrolidin-3-ol?
(3R)-1-[3-(2-phenyl-1,3-dioxolan-2-yl)propyl]pyrrolidin-3-ol has a molecular weight of 277.36 g/mol, XLogP of 1.73, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[3-(2-phenyl-1,3-dioxolan-2-yl)propyl]pyrrolidin-3-ol is sourced from PubChem (CID 59980469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).