5-bromo-1,3-dimethyl-4-[(Z)-prop-1-enyl]pyridin-2-one

C10H12BrNO — CID 145148226

IUPAC5-bromo-1,3-dimethyl-4-[(Z)-prop-1-enyl]pyridin-2-one
SMILESC/C=C\c1c(Br)cn(C)c(=O)c1C
InChIInChI=1S/C10H12BrNO/c1-4-5-8-7(2)10(13)12(3)6-9(8)11/h4-6H,1-3H3/b5-4-
InChIKeyBQCNSDYKLFCAIN-PLNGDYQASA-N
MW242.12 g/mol
LogP2.49
Rot. Bonds1

About 5-bromo-1,3-dimethyl-4-[(Z)-prop-1-enyl]pyridin-2-one

5-bromo-1,3-dimethyl-4-[(Z)-prop-1-enyl]pyridin-2-one (PubChem CID 145148226) has the molecular formula C10H12BrNO and a molecular weight of 242.12 g/mol. Its IUPAC name is 5-bromo-1,3-dimethyl-4-[(Z)-prop-1-enyl]pyridin-2-one.

Molecular Properties

Compound Name5-bromo-1,3-dimethyl-4-[(Z)-prop-1-enyl]pyridin-2-one
PubChem CID145148226
Molecular FormulaC10H12BrNO
Molecular Weight242.12 g/mol
Exact Mass241.01
IUPAC Name5-bromo-1,3-dimethyl-4-[(Z)-prop-1-enyl]pyridin-2-one
SMILESC/C=C\c1c(Br)cn(C)c(=O)c1C
InChIInChI=1S/C10H12BrNO/c1-4-5-8-7(2)10(13)12(3)6-9(8)11/h4-6H,1-3H3/b5-4-
InChIKeyBQCNSDYKLFCAIN-PLNGDYQASA-N
XLogP2.49
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.12
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-1,3,5-trimethylpyridin-2-one
CID 67813387
ethane;2-ethenyl-1,4-dimethyl-3-[(Z)-prop-1-enyl]pyrrole
CID 178086762
4-bromo-2-methyl-5,6,7,8-tetrahydroisoquinolin-1-one
CID 118021767
4-bromo-2,5-dimethylisoquinolin-1-one
CID 134258730
7-bromo-2,5-dimethylthieno[3,2-c]pyridin-4-one
CID 144628500
5-bromo-3-methoxy-1,2-dimethylpyridin-4-one
CID 12511612
4-fluoro-1,3-dimethyl-5-sulfanylpyridin-2-one
CID 172614308
ethyl N-(5-bromo-1,4-dimethyl-2-oxo-3-pyridinyl)carbamate
CID 139371054
4-methoxy-1,3,5-trimethylpyridin-2-one
CID 123400251
3-bromo-1-methylquinolin-4-one
CID 23279589
4-bromo-6-fluoro-2-methylisoquinolin-1-one
CID 118021521
4-bromo-7-chloro-2-methylisoquinolin-1-one
CID 133054078

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1,3-dimethyl-4-[(Z)-prop-1-enyl]pyridin-2-one?
The IUPAC name of 5-bromo-1,3-dimethyl-4-[(Z)-prop-1-enyl]pyridin-2-one (CID 145148226) is 5-bromo-1,3-dimethyl-4-[(Z)-prop-1-enyl]pyridin-2-one.
What is the SMILES notation for 5-bromo-1,3-dimethyl-4-[(Z)-prop-1-enyl]pyridin-2-one?
The canonical SMILES for 5-bromo-1,3-dimethyl-4-[(Z)-prop-1-enyl]pyridin-2-one is C/C=C\c1c(Br)cn(C)c(=O)c1C.
What is the InChIKey of 5-bromo-1,3-dimethyl-4-[(Z)-prop-1-enyl]pyridin-2-one?
The InChIKey is BQCNSDYKLFCAIN-PLNGDYQASA-N. The full InChI is InChI=1S/C10H12BrNO/c1-4-5-8-7(2)10(13)12(3)6-9(8)11/h4-6H,1-3H3/b5-4-.
What are the key properties of 5-bromo-1,3-dimethyl-4-[(Z)-prop-1-enyl]pyridin-2-one?
5-bromo-1,3-dimethyl-4-[(Z)-prop-1-enyl]pyridin-2-one has a molecular weight of 242.12 g/mol, XLogP of 2.49, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1,3-dimethyl-4-[(Z)-prop-1-enyl]pyridin-2-one is sourced from PubChem (CID 145148226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).