1-[(E)-5-hydroxy-4-propa-1,2-dienyldec-3-enyl]pyrrolidin-2-one

C17H27NO2 — CID 89303989

IUPAC1-[(E)-5-hydroxy-4-propa-1,2-dienyldec-3-enyl]pyrrolidin-2-one
SMILESC=C=C/C(=C\CCN1CCCC1=O)C(O)CCCCC
InChIInChI=1S/C17H27NO2/c1-3-5-6-11-16(19)15(9-4-2)10-7-13-18-14-8-12-17(18)20/h9-10,16,19H,2-3,5-8,11-14H2,1H3/b15-10+
InChIKeySKXMUNBRJBJFMC-XNTDXEJSSA-N
MW277.41 g/mol
LogP3.21
Rot. Bonds9

About 1-[(E)-5-hydroxy-4-propa-1,2-dienyldec-3-enyl]pyrrolidin-2-one

1-[(E)-5-hydroxy-4-propa-1,2-dienyldec-3-enyl]pyrrolidin-2-one (PubChem CID 89303989) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is 1-[(E)-5-hydroxy-4-propa-1,2-dienyldec-3-enyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[(E)-5-hydroxy-4-propa-1,2-dienyldec-3-enyl]pyrrolidin-2-one
PubChem CID89303989
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name1-[(E)-5-hydroxy-4-propa-1,2-dienyldec-3-enyl]pyrrolidin-2-one
SMILESC=C=C/C(=C\CCN1CCCC1=O)C(O)CCCCC
InChIInChI=1S/C17H27NO2/c1-3-5-6-11-16(19)15(9-4-2)10-7-13-18-14-8-12-17(18)20/h9-10,16,19H,2-3,5-8,11-14H2,1H3/b15-10+
InChIKeySKXMUNBRJBJFMC-XNTDXEJSSA-N
XLogP3.21
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(E)-5-hydroxy-4-propa-1,2-dienyldec-3-enyl]pyrrolidin-2-one?
The IUPAC name of 1-[(E)-5-hydroxy-4-propa-1,2-dienyldec-3-enyl]pyrrolidin-2-one (CID 89303989) is 1-[(E)-5-hydroxy-4-propa-1,2-dienyldec-3-enyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[(E)-5-hydroxy-4-propa-1,2-dienyldec-3-enyl]pyrrolidin-2-one?
The canonical SMILES for 1-[(E)-5-hydroxy-4-propa-1,2-dienyldec-3-enyl]pyrrolidin-2-one is C=C=C/C(=C\CCN1CCCC1=O)C(O)CCCCC.
What is the InChIKey of 1-[(E)-5-hydroxy-4-propa-1,2-dienyldec-3-enyl]pyrrolidin-2-one?
The InChIKey is SKXMUNBRJBJFMC-XNTDXEJSSA-N. The full InChI is InChI=1S/C17H27NO2/c1-3-5-6-11-16(19)15(9-4-2)10-7-13-18-14-8-12-17(18)20/h9-10,16,19H,2-3,5-8,11-14H2,1H3/b15-10+.
What are the key properties of 1-[(E)-5-hydroxy-4-propa-1,2-dienyldec-3-enyl]pyrrolidin-2-one?
1-[(E)-5-hydroxy-4-propa-1,2-dienyldec-3-enyl]pyrrolidin-2-one has a molecular weight of 277.41 g/mol, XLogP of 3.21, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-5-hydroxy-4-propa-1,2-dienyldec-3-enyl]pyrrolidin-2-one is sourced from PubChem (CID 89303989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).