(5R)-1-[(Z)-but-2-enyl]-5-[(E)-3-hydroxyoct-1-enyl]pyrrolidin-2-one

C16H27NO2 — CID 141060677

IUPAC(5R)-1-[(Z)-but-2-enyl]-5-[(E)-3-hydroxyoct-1-enyl]pyrrolidin-2-one
SMILESC/C=C\CN1C(=O)CC[C@@H]1/C=C/C(O)CCCCC
InChIInChI=1S/C16H27NO2/c1-3-5-7-8-15(18)11-9-14-10-12-16(19)17(14)13-6-4-2/h4,6,9,11,14-15,18H,3,5,7-8,10,12-13H2,1-2H3/b6-4-,11-9+/t14-,15?/m0/s1
InChIKeyHIFPOUBOHVKNFI-JFKOZMDDSA-N
MW265.40 g/mol
LogP3.05
Rot. Bonds8

About (5R)-1-[(Z)-but-2-enyl]-5-[(E)-3-hydroxyoct-1-enyl]pyrrolidin-2-one

(5R)-1-[(Z)-but-2-enyl]-5-[(E)-3-hydroxyoct-1-enyl]pyrrolidin-2-one (PubChem CID 141060677) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is (5R)-1-[(Z)-but-2-enyl]-5-[(E)-3-hydroxyoct-1-enyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(5R)-1-[(Z)-but-2-enyl]-5-[(E)-3-hydroxyoct-1-enyl]pyrrolidin-2-one
PubChem CID141060677
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC Name(5R)-1-[(Z)-but-2-enyl]-5-[(E)-3-hydroxyoct-1-enyl]pyrrolidin-2-one
SMILESC/C=C\CN1C(=O)CC[C@@H]1/C=C/C(O)CCCCC
InChIInChI=1S/C16H27NO2/c1-3-5-7-8-15(18)11-9-14-10-12-16(19)17(14)13-6-4-2/h4,6,9,11,14-15,18H,3,5,7-8,10,12-13H2,1-2H3/b6-4-,11-9+/t14-,15?/m0/s1
InChIKeyHIFPOUBOHVKNFI-JFKOZMDDSA-N
XLogP3.05
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 53.05
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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Frequently Asked Questions

What is the IUPAC name of (5R)-1-[(Z)-but-2-enyl]-5-[(E)-3-hydroxyoct-1-enyl]pyrrolidin-2-one?
The IUPAC name of (5R)-1-[(Z)-but-2-enyl]-5-[(E)-3-hydroxyoct-1-enyl]pyrrolidin-2-one (CID 141060677) is (5R)-1-[(Z)-but-2-enyl]-5-[(E)-3-hydroxyoct-1-enyl]pyrrolidin-2-one.
What is the SMILES notation for (5R)-1-[(Z)-but-2-enyl]-5-[(E)-3-hydroxyoct-1-enyl]pyrrolidin-2-one?
The canonical SMILES for (5R)-1-[(Z)-but-2-enyl]-5-[(E)-3-hydroxyoct-1-enyl]pyrrolidin-2-one is C/C=C\CN1C(=O)CC[C@@H]1/C=C/C(O)CCCCC.
What is the InChIKey of (5R)-1-[(Z)-but-2-enyl]-5-[(E)-3-hydroxyoct-1-enyl]pyrrolidin-2-one?
The InChIKey is HIFPOUBOHVKNFI-JFKOZMDDSA-N. The full InChI is InChI=1S/C16H27NO2/c1-3-5-7-8-15(18)11-9-14-10-12-16(19)17(14)13-6-4-2/h4,6,9,11,14-15,18H,3,5,7-8,10,12-13H2,1-2H3/b6-4-,11-9+/t14-,15?/m0/s1.
What are the key properties of (5R)-1-[(Z)-but-2-enyl]-5-[(E)-3-hydroxyoct-1-enyl]pyrrolidin-2-one?
(5R)-1-[(Z)-but-2-enyl]-5-[(E)-3-hydroxyoct-1-enyl]pyrrolidin-2-one has a molecular weight of 265.40 g/mol, XLogP of 3.05, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-1-[(Z)-but-2-enyl]-5-[(E)-3-hydroxyoct-1-enyl]pyrrolidin-2-one is sourced from PubChem (CID 141060677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).