4-bromo-6-[(2S)-pent-4-en-2-yl]-1H-pyridin-2-one

C10H12BrNO — CID 121262967

IUPAC4-bromo-6-[(2S)-pent-4-en-2-yl]-1H-pyridin-2-one
SMILESC=CC[C@H](C)c1cc(Br)cc(=O)[nH]1
InChIInChI=1S/C10H12BrNO/c1-3-4-7(2)9-5-8(11)6-10(13)12-9/h3,5-7H,1,4H2,2H3,(H,12,13)/t7-/m0/s1
InChIKeyHYSQVEADVZMGGK-ZETCQYMHSA-N
MW242.12 g/mol
LogP2.82
Rot. Bonds3

About 4-bromo-6-[(2S)-pent-4-en-2-yl]-1H-pyridin-2-one

4-bromo-6-[(2S)-pent-4-en-2-yl]-1H-pyridin-2-one (PubChem CID 121262967) has the molecular formula C10H12BrNO and a molecular weight of 242.12 g/mol. Its IUPAC name is 4-bromo-6-[(2S)-pent-4-en-2-yl]-1H-pyridin-2-one.

Molecular Properties

Compound Name4-bromo-6-[(2S)-pent-4-en-2-yl]-1H-pyridin-2-one
PubChem CID121262967
Molecular FormulaC10H12BrNO
Molecular Weight242.12 g/mol
Exact Mass241.01
IUPAC Name4-bromo-6-[(2S)-pent-4-en-2-yl]-1H-pyridin-2-one
SMILESC=CC[C@H](C)c1cc(Br)cc(=O)[nH]1
InChIInChI=1S/C10H12BrNO/c1-3-4-7(2)9-5-8(11)6-10(13)12-9/h3,5-7H,1,4H2,2H3,(H,12,13)/t7-/m0/s1
InChIKeyHYSQVEADVZMGGK-ZETCQYMHSA-N
XLogP2.82
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.12
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-6-[(2S)-pent-4-en-2-yl]-1H-pyridin-2-one?
The IUPAC name of 4-bromo-6-[(2S)-pent-4-en-2-yl]-1H-pyridin-2-one (CID 121262967) is 4-bromo-6-[(2S)-pent-4-en-2-yl]-1H-pyridin-2-one.
What is the SMILES notation for 4-bromo-6-[(2S)-pent-4-en-2-yl]-1H-pyridin-2-one?
The canonical SMILES for 4-bromo-6-[(2S)-pent-4-en-2-yl]-1H-pyridin-2-one is C=CC[C@H](C)c1cc(Br)cc(=O)[nH]1.
What is the InChIKey of 4-bromo-6-[(2S)-pent-4-en-2-yl]-1H-pyridin-2-one?
The InChIKey is HYSQVEADVZMGGK-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H12BrNO/c1-3-4-7(2)9-5-8(11)6-10(13)12-9/h3,5-7H,1,4H2,2H3,(H,12,13)/t7-/m0/s1.
What are the key properties of 4-bromo-6-[(2S)-pent-4-en-2-yl]-1H-pyridin-2-one?
4-bromo-6-[(2S)-pent-4-en-2-yl]-1H-pyridin-2-one has a molecular weight of 242.12 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-6-[(2S)-pent-4-en-2-yl]-1H-pyridin-2-one is sourced from PubChem (CID 121262967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).