(2S)-2-[(1S,2S)-2-[(Z)-hex-4-enyl]-2-(hydroxymethyl)cyclopentyl]-1-pyrrolidin-1-ylpropan-1-one

C19H33NO2 — CID 10542784

IUPAC(2S)-2-[(1S,2S)-2-[(Z)-hex-4-enyl]-2-(hydroxymethyl)cyclopentyl]-1-pyrrolidin-1-ylpropan-1-one
SMILESC/C=C\CCC[C@]1(CO)CCC[C@H]1[C@H](C)C(=O)N1CCCC1
InChIInChI=1S/C19H33NO2/c1-3-4-5-6-11-19(15-21)12-9-10-17(19)16(2)18(22)20-13-7-8-14-20/h3-4,16-17,21H,5-15H2,1-2H3/b4-3-/t16-,17-,19+/m0/s1
InChIKeyOXCYSNAGLQWNSR-OZLUSBLKSA-N
MW307.48 g/mol
LogP3.77
Rot. Bonds7

About (2S)-2-[(1S,2S)-2-[(Z)-hex-4-enyl]-2-(hydroxymethyl)cyclopentyl]-1-pyrrolidin-1-ylpropan-1-one

(2S)-2-[(1S,2S)-2-[(Z)-hex-4-enyl]-2-(hydroxymethyl)cyclopentyl]-1-pyrrolidin-1-ylpropan-1-one (PubChem CID 10542784) has the molecular formula C19H33NO2 and a molecular weight of 307.48 g/mol. Its IUPAC name is (2S)-2-[(1S,2S)-2-[(Z)-hex-4-enyl]-2-(hydroxymethyl)cyclopentyl]-1-pyrrolidin-1-ylpropan-1-one.

Molecular Properties

Compound Name(2S)-2-[(1S,2S)-2-[(Z)-hex-4-enyl]-2-(hydroxymethyl)cyclopentyl]-1-pyrrolidin-1-ylpropan-1-one
PubChem CID10542784
Molecular FormulaC19H33NO2
Molecular Weight307.48 g/mol
Exact Mass307.25
IUPAC Name(2S)-2-[(1S,2S)-2-[(Z)-hex-4-enyl]-2-(hydroxymethyl)cyclopentyl]-1-pyrrolidin-1-ylpropan-1-one
SMILESC/C=C\CCC[C@]1(CO)CCC[C@H]1[C@H](C)C(=O)N1CCCC1
InChIInChI=1S/C19H33NO2/c1-3-4-5-6-11-19(15-21)12-9-10-17(19)16(2)18(22)20-13-7-8-14-20/h3-4,16-17,21H,5-15H2,1-2H3/b4-3-/t16-,17-,19+/m0/s1
InChIKeyOXCYSNAGLQWNSR-OZLUSBLKSA-N
XLogP3.77
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.48
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

5-[Cyclohex-2-en-1-yl(hydroxy)methyl]-1,4,4,5-tetramethyl-3-propylpyrrolidin-2-one;methane
CID 161091492
3-(3-Hydroxyoct-1-enyl)-2-(7-oxo-7-pyrrolidin-1-ylheptyl)cyclopentan-1-one
CID 3842786
(2S)-2-[(1S,2S)-2-[(E)-hex-4-enyl]-2-(hydroxymethyl)cyclopentyl]-1-pyrrolidin-1-ylpropan-1-one
CID 10494966
(2S)-2-[(1S,2R)-2-(hydroxymethyl)-2-(5-methylhex-4-enyl)cyclopentyl]-1-pyrrolidin-1-ylpropan-1-one
CID 10496025
trans-methyl (1S,2S)-1-[(Z)-hex-4-enyl]-2-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]cyclopentane-1-carboxylate
CID 10616800
trans-methyl (1S,2S)-1-[(E)-hex-4-enyl]-2-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]cyclopentane-1-carboxylate
CID 10664541
(2S)-2-[(1S,2S)-2-(hydroxymethyl)-2-pent-4-enylcyclopentyl]-1-pyrrolidin-1-ylpropan-1-one
CID 10685152
trans-methyl (1R,2S)-1-(5-methylhex-4-enyl)-2-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]cyclopentane-1-carboxylate
CID 10760260
(13E,15S)-15-hydroxy-1-(pyrrolidin-1-yl)prost-13-ene-1,9-dione
CID 11874048
trans-(2R,3R)-3-[(3S)-3-hydroxyoct-1-enyl]-2-(7-oxo-7-pyrrolidin-1-ylheptyl)cyclopentan-1-one
CID 71964275

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(1S,2S)-2-[(Z)-hex-4-enyl]-2-(hydroxymethyl)cyclopentyl]-1-pyrrolidin-1-ylpropan-1-one?
The IUPAC name of (2S)-2-[(1S,2S)-2-[(Z)-hex-4-enyl]-2-(hydroxymethyl)cyclopentyl]-1-pyrrolidin-1-ylpropan-1-one (CID 10542784) is (2S)-2-[(1S,2S)-2-[(Z)-hex-4-enyl]-2-(hydroxymethyl)cyclopentyl]-1-pyrrolidin-1-ylpropan-1-one.
What is the SMILES notation for (2S)-2-[(1S,2S)-2-[(Z)-hex-4-enyl]-2-(hydroxymethyl)cyclopentyl]-1-pyrrolidin-1-ylpropan-1-one?
The canonical SMILES for (2S)-2-[(1S,2S)-2-[(Z)-hex-4-enyl]-2-(hydroxymethyl)cyclopentyl]-1-pyrrolidin-1-ylpropan-1-one is C/C=C\CCC[C@]1(CO)CCC[C@H]1[C@H](C)C(=O)N1CCCC1.
What is the InChIKey of (2S)-2-[(1S,2S)-2-[(Z)-hex-4-enyl]-2-(hydroxymethyl)cyclopentyl]-1-pyrrolidin-1-ylpropan-1-one?
The InChIKey is OXCYSNAGLQWNSR-OZLUSBLKSA-N. The full InChI is InChI=1S/C19H33NO2/c1-3-4-5-6-11-19(15-21)12-9-10-17(19)16(2)18(22)20-13-7-8-14-20/h3-4,16-17,21H,5-15H2,1-2H3/b4-3-/t16-,17-,19+/m0/s1.
What are the key properties of (2S)-2-[(1S,2S)-2-[(Z)-hex-4-enyl]-2-(hydroxymethyl)cyclopentyl]-1-pyrrolidin-1-ylpropan-1-one?
(2S)-2-[(1S,2S)-2-[(Z)-hex-4-enyl]-2-(hydroxymethyl)cyclopentyl]-1-pyrrolidin-1-ylpropan-1-one has a molecular weight of 307.48 g/mol, XLogP of 3.77, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(1S,2S)-2-[(Z)-hex-4-enyl]-2-(hydroxymethyl)cyclopentyl]-1-pyrrolidin-1-ylpropan-1-one is sourced from PubChem (CID 10542784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).