(5S)-5-(2,2-dibromoethenyl)-1-pent-4-enylpyrrolidin-2-one

C11H15Br2NO — CID 10830736

IUPAC(5S)-5-(2,2-dibromoethenyl)-1-pent-4-enylpyrrolidin-2-one
SMILESC=CCCCN1C(=O)CC[C@H]1C=C(Br)Br
InChIInChI=1S/C11H15Br2NO/c1-2-3-4-7-14-9(8-10(12)13)5-6-11(14)15/h2,8-9H,1,3-7H2/t9-/m0/s1
InChIKeyYMMHNBSPVVASPL-VIFPVBQESA-N
MW337.06 g/mol
LogP3.57
Rot. Bonds5

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

(5S)-5-(2,2-dibromoethenyl)-1-pent-4-enylpyrrolidin-2-one (PubChem CID 10830736) has the molecular formula C11H15Br2NO and a molecular weight of 337.06 g/mol. Its IUPAC name is (5S)-5-(2,2-dibromoethenyl)-1-pent-4-enylpyrrolidin-2-one.

Molecular Properties

Compound Name(5S)-5-(2,2-dibromoethenyl)-1-pent-4-enylpyrrolidin-2-one
PubChem CID10830736
Molecular FormulaC11H15Br2NO
Molecular Weight337.06 g/mol
Exact Mass334.95
IUPAC Name(5S)-5-(2,2-dibromoethenyl)-1-pent-4-enylpyrrolidin-2-one
SMILESC=CCCCN1C(=O)CC[C@H]1C=C(Br)Br
InChIInChI=1S/C11H15Br2NO/c1-2-3-4-7-14-9(8-10(12)13)5-6-11(14)15/h2,8-9H,1,3-7H2/t9-/m0/s1
InChIKeyYMMHNBSPVVASPL-VIFPVBQESA-N
XLogP3.57
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.06
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

(5R)-5-ethynyl-1-pent-4-enylpyrrolidin-2-one
CID 134872444
7-[(2R)-2-ethenyl-5-oxopyrrolidin-1-yl]heptanoic acid
CID 167175811
methyl 4-[2-[(2R)-2-(2,2-dibromoethenyl)-5-oxopyrrolidin-1-yl]ethyl]benzoate
CID 87714246
1-cyclopropyl-3-pent-4-enylimidazol-2-one
CID 116625373
(5R)-1-butyl-5-[(E)-4-hydroxypent-1-enyl]pyrrolidin-2-one;ethane
CID 162036909
(5S)-1,5-bis(prop-2-enyl)pyrrolidin-2-one
CID 11286664
(5S)-1-[(4-bromophenyl)methyl]-5-ethenylpyrrolidin-2-one
CID 57274916
tert-butyl 7-(2-formyl-5-oxopyrrolidin-1-yl)heptanoate
CID 13025450
1-(2-methylprop-2-enyl)-5-prop-2-enylpyrrolidin-2-one
CID 121221572
(5S,6R)-5-hydroxy-6-methyl-1-prop-2-enylpiperidin-2-one
CID 118169161
2-[4-[(2R)-2-[(E)-8-hydroxyoct-1-enyl]-5-oxopyrrolidin-1-yl]butoxy]acetic acid
CID 142665682
1-acetyl-5-ethenylpyrrolidin-2-one
CID 19861403

Frequently Asked Questions

What is the IUPAC name of (5S)-5-(2,2-dibromoethenyl)-1-pent-4-enylpyrrolidin-2-one?
The IUPAC name of (5S)-5-(2,2-dibromoethenyl)-1-pent-4-enylpyrrolidin-2-one (CID 10830736) is (5S)-5-(2,2-dibromoethenyl)-1-pent-4-enylpyrrolidin-2-one.
What is the SMILES notation for (5S)-5-(2,2-dibromoethenyl)-1-pent-4-enylpyrrolidin-2-one?
The canonical SMILES for (5S)-5-(2,2-dibromoethenyl)-1-pent-4-enylpyrrolidin-2-one is C=CCCCN1C(=O)CC[C@H]1C=C(Br)Br.
What is the InChIKey of (5S)-5-(2,2-dibromoethenyl)-1-pent-4-enylpyrrolidin-2-one?
The InChIKey is YMMHNBSPVVASPL-VIFPVBQESA-N. The full InChI is InChI=1S/C11H15Br2NO/c1-2-3-4-7-14-9(8-10(12)13)5-6-11(14)15/h2,8-9H,1,3-7H2/t9-/m0/s1.
What are the key properties of (5S)-5-(2,2-dibromoethenyl)-1-pent-4-enylpyrrolidin-2-one?
(5S)-5-(2,2-dibromoethenyl)-1-pent-4-enylpyrrolidin-2-one has a molecular weight of 337.06 g/mol, XLogP of 3.57, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-(2,2-dibromoethenyl)-1-pent-4-enylpyrrolidin-2-one is sourced from PubChem (CID 10830736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).