(5S)-5-(1-iodoethenyl)-1-pent-4-enylpyrrolidin-2-one

C11H16INO — CID 16680301

IUPAC(5S)-5-(1-iodoethenyl)-1-pent-4-enylpyrrolidin-2-one
SMILESC=CCCCN1C(=O)CC[C@H]1C(=C)I
InChIInChI=1S/C11H16INO/c1-3-4-5-8-13-10(9(2)12)6-7-11(13)14/h3,10H,1-2,4-8H2/t10-/m0/s1
InChIKeyXWGUHHISFWDUCR-JTQLQIEISA-N
MW305.16 g/mol
LogP2.89
Rot. Bonds5

About (5S)-5-(1-iodoethenyl)-1-pent-4-enylpyrrolidin-2-one

(5S)-5-(1-iodoethenyl)-1-pent-4-enylpyrrolidin-2-one (PubChem CID 16680301) has the molecular formula C11H16INO and a molecular weight of 305.16 g/mol. Its IUPAC name is (5S)-5-(1-iodoethenyl)-1-pent-4-enylpyrrolidin-2-one.

Molecular Properties

Compound Name(5S)-5-(1-iodoethenyl)-1-pent-4-enylpyrrolidin-2-one
PubChem CID16680301
Molecular FormulaC11H16INO
Molecular Weight305.16 g/mol
Exact Mass305.03
IUPAC Name(5S)-5-(1-iodoethenyl)-1-pent-4-enylpyrrolidin-2-one
SMILESC=CCCCN1C(=O)CC[C@H]1C(=C)I
InChIInChI=1S/C11H16INO/c1-3-4-5-8-13-10(9(2)12)6-7-11(13)14/h3,10H,1-2,4-8H2/t10-/m0/s1
InChIKeyXWGUHHISFWDUCR-JTQLQIEISA-N
XLogP2.89
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.16
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5S)-5-(1-iodoethenyl)-1-pent-4-enylpyrrolidin-2-one?
The IUPAC name of (5S)-5-(1-iodoethenyl)-1-pent-4-enylpyrrolidin-2-one (CID 16680301) is (5S)-5-(1-iodoethenyl)-1-pent-4-enylpyrrolidin-2-one.
What is the SMILES notation for (5S)-5-(1-iodoethenyl)-1-pent-4-enylpyrrolidin-2-one?
The canonical SMILES for (5S)-5-(1-iodoethenyl)-1-pent-4-enylpyrrolidin-2-one is C=CCCCN1C(=O)CC[C@H]1C(=C)I.
What is the InChIKey of (5S)-5-(1-iodoethenyl)-1-pent-4-enylpyrrolidin-2-one?
The InChIKey is XWGUHHISFWDUCR-JTQLQIEISA-N. The full InChI is InChI=1S/C11H16INO/c1-3-4-5-8-13-10(9(2)12)6-7-11(13)14/h3,10H,1-2,4-8H2/t10-/m0/s1.
What are the key properties of (5S)-5-(1-iodoethenyl)-1-pent-4-enylpyrrolidin-2-one?
(5S)-5-(1-iodoethenyl)-1-pent-4-enylpyrrolidin-2-one has a molecular weight of 305.16 g/mol, XLogP of 2.89, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-(1-iodoethenyl)-1-pent-4-enylpyrrolidin-2-one is sourced from PubChem (CID 16680301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).