1-[(2S)-but-3-en-2-yl]-5-chloropyridin-2-one

C9H10ClNO — CID 146161643

IUPAC1-[(2S)-but-3-en-2-yl]-5-chloropyridin-2-one
SMILESC=C[C@H](C)n1cc(Cl)ccc1=O
InChIInChI=1S/C9H10ClNO/c1-3-7(2)11-6-8(10)4-5-9(11)12/h3-7H,1H2,2H3/t7-/m0/s1
InChIKeyCNSUJMDRKGEDEE-ZETCQYMHSA-N
MW183.64 g/mol
LogP2.25
Rot. Bonds2

About 1-[(2S)-but-3-en-2-yl]-5-chloropyridin-2-one

1-[(2S)-but-3-en-2-yl]-5-chloropyridin-2-one (PubChem CID 146161643) has the molecular formula C9H10ClNO and a molecular weight of 183.64 g/mol. Its IUPAC name is 1-[(2S)-but-3-en-2-yl]-5-chloropyridin-2-one.

Molecular Properties

Compound Name1-[(2S)-but-3-en-2-yl]-5-chloropyridin-2-one
PubChem CID146161643
Molecular FormulaC9H10ClNO
Molecular Weight183.64 g/mol
Exact Mass183.05
IUPAC Name1-[(2S)-but-3-en-2-yl]-5-chloropyridin-2-one
SMILESC=C[C@H](C)n1cc(Cl)ccc1=O
InChIInChI=1S/C9H10ClNO/c1-3-7(2)11-6-8(10)4-5-9(11)12/h3-7H,1H2,2H3/t7-/m0/s1
InChIKeyCNSUJMDRKGEDEE-ZETCQYMHSA-N
XLogP2.25
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.64
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 1-[(2S)-but-3-en-2-yl]-5-chloropyridin-2-one?
The IUPAC name of 1-[(2S)-but-3-en-2-yl]-5-chloropyridin-2-one (CID 146161643) is 1-[(2S)-but-3-en-2-yl]-5-chloropyridin-2-one.
What is the SMILES notation for 1-[(2S)-but-3-en-2-yl]-5-chloropyridin-2-one?
The canonical SMILES for 1-[(2S)-but-3-en-2-yl]-5-chloropyridin-2-one is C=C[C@H](C)n1cc(Cl)ccc1=O.
What is the InChIKey of 1-[(2S)-but-3-en-2-yl]-5-chloropyridin-2-one?
The InChIKey is CNSUJMDRKGEDEE-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H10ClNO/c1-3-7(2)11-6-8(10)4-5-9(11)12/h3-7H,1H2,2H3/t7-/m0/s1.
What are the key properties of 1-[(2S)-but-3-en-2-yl]-5-chloropyridin-2-one?
1-[(2S)-but-3-en-2-yl]-5-chloropyridin-2-one has a molecular weight of 183.64 g/mol, XLogP of 2.25, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-but-3-en-2-yl]-5-chloropyridin-2-one is sourced from PubChem (CID 146161643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).