(E,2R)-1-[(2R)-2-hydroxypyrrolidin-1-yl]-2-methyldec-8-ene-1,3-dione

C15H25NO3 — CID 163047479

IUPAC(E,2R)-1-[(2R)-2-hydroxypyrrolidin-1-yl]-2-methyldec-8-ene-1,3-dione
SMILESC/C=C/CCCCC(=O)[C@@H](C)C(=O)N1CCC[C@H]1O
InChIInChI=1S/C15H25NO3/c1-3-4-5-6-7-9-13(17)12(2)15(19)16-11-8-10-14(16)18/h3-4,12,14,18H,5-11H2,1-2H3/b4-3+/t12-,14-/m1/s1
InChIKeyBSMAUSMODCGUTB-YTRGCGJWSA-N
MW267.37 g/mol
LogP2.27
Rot. Bonds7

About (E,2R)-1-[(2R)-2-hydroxypyrrolidin-1-yl]-2-methyldec-8-ene-1,3-dione

(E,2R)-1-[(2R)-2-hydroxypyrrolidin-1-yl]-2-methyldec-8-ene-1,3-dione (PubChem CID 163047479) has the molecular formula C15H25NO3 and a molecular weight of 267.37 g/mol. Its IUPAC name is (E,2R)-1-[(2R)-2-hydroxypyrrolidin-1-yl]-2-methyldec-8-ene-1,3-dione.

Molecular Properties

Compound Name(E,2R)-1-[(2R)-2-hydroxypyrrolidin-1-yl]-2-methyldec-8-ene-1,3-dione
PubChem CID163047479
Molecular FormulaC15H25NO3
Molecular Weight267.37 g/mol
Exact Mass267.18
IUPAC Name(E,2R)-1-[(2R)-2-hydroxypyrrolidin-1-yl]-2-methyldec-8-ene-1,3-dione
SMILESC/C=C/CCCCC(=O)[C@@H](C)C(=O)N1CCC[C@H]1O
InChIInChI=1S/C15H25NO3/c1-3-4-5-6-7-9-13(17)12(2)15(19)16-11-8-10-14(16)18/h3-4,12,14,18H,5-11H2,1-2H3/b4-3+/t12-,14-/m1/s1
InChIKeyBSMAUSMODCGUTB-YTRGCGJWSA-N
XLogP2.27
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

Scalusamide A
CID 11437493
(E,2R)-1-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-methyldec-8-ene-1,3-dione
CID 26204016
(E)-1-[2-(Hydroxymethyl)pyrrolidin-1-yl]-2-methyldec-8-ene-1,3-dione
CID 45359310
(E)-2-methyl-1-pyrrolidin-1-yldec-8-ene-1,3-dione
CID 10514913
(2R)-1-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-methyldec-8-ene-1,3-dione
CID 162858943
(Z)-1-[(3S)-3-(hydroxymethyl)pyrrolidin-1-yl]octadec-9-en-1-one
CID 139818271
5-Hydroxy-1-methyl-4-(4-methylcyclohex-2-en-1-yl)pyrrolidin-2-one
CID 161405841
1-(2-Hydroxypyrrolidin-1-yl)-2-methyldec-8-ene-1,3-dione
CID 163047478
1-[(4-Acetylcyclohex-3-en-1-yl)methyl]-5-hydroxy-3-methylpyrrolidin-2-one
CID 164121418
(E)-1-(2-methoxypyrrolidin-1-yl)-2-methyldec-8-ene-1,3-dione
CID 10493094
(E,2S)-1-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-methyldec-8-ene-1,3-dione
CID 26204018
(E,2R)-1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-methyldec-8-ene-1,3-dione
CID 26204020

Frequently Asked Questions

What is the IUPAC name of (E,2R)-1-[(2R)-2-hydroxypyrrolidin-1-yl]-2-methyldec-8-ene-1,3-dione?
The IUPAC name of (E,2R)-1-[(2R)-2-hydroxypyrrolidin-1-yl]-2-methyldec-8-ene-1,3-dione (CID 163047479) is (E,2R)-1-[(2R)-2-hydroxypyrrolidin-1-yl]-2-methyldec-8-ene-1,3-dione.
What is the SMILES notation for (E,2R)-1-[(2R)-2-hydroxypyrrolidin-1-yl]-2-methyldec-8-ene-1,3-dione?
The canonical SMILES for (E,2R)-1-[(2R)-2-hydroxypyrrolidin-1-yl]-2-methyldec-8-ene-1,3-dione is C/C=C/CCCCC(=O)[C@@H](C)C(=O)N1CCC[C@H]1O.
What is the InChIKey of (E,2R)-1-[(2R)-2-hydroxypyrrolidin-1-yl]-2-methyldec-8-ene-1,3-dione?
The InChIKey is BSMAUSMODCGUTB-YTRGCGJWSA-N. The full InChI is InChI=1S/C15H25NO3/c1-3-4-5-6-7-9-13(17)12(2)15(19)16-11-8-10-14(16)18/h3-4,12,14,18H,5-11H2,1-2H3/b4-3+/t12-,14-/m1/s1.
What are the key properties of (E,2R)-1-[(2R)-2-hydroxypyrrolidin-1-yl]-2-methyldec-8-ene-1,3-dione?
(E,2R)-1-[(2R)-2-hydroxypyrrolidin-1-yl]-2-methyldec-8-ene-1,3-dione has a molecular weight of 267.37 g/mol, XLogP of 2.27, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E,2R)-1-[(2R)-2-hydroxypyrrolidin-1-yl]-2-methyldec-8-ene-1,3-dione is sourced from PubChem (CID 163047479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).