N-[(7-fluoro-5-oxo-3H-indolizin-6-yl)methyl]-2-methylpropanamide

C13H15FN2O2 — CID 148533312

IUPACN-[(7-fluoro-5-oxo-3H-indolizin-6-yl)methyl]-2-methylpropanamide
SMILESCC(C)C(=O)NCc1c(F)cc2n(c1=O)CC=C2
InChIInChI=1S/C13H15FN2O2/c1-8(2)12(17)15-7-10-11(14)6-9-4-3-5-16(9)13(10)18/h3-4,6,8H,5,7H2,1-2H3,(H,15,17)
InChIKeyMQSCNAIFEJSCBU-UHFFFAOYSA-N
MW250.27 g/mol
LogP1.29
Rot. Bonds3

About N-[(7-fluoro-5-oxo-3H-indolizin-6-yl)methyl]-2-methylpropanamide

N-[(7-fluoro-5-oxo-3H-indolizin-6-yl)methyl]-2-methylpropanamide (PubChem CID 148533312) has the molecular formula C13H15FN2O2 and a molecular weight of 250.27 g/mol. Its IUPAC name is N-[(7-fluoro-5-oxo-3H-indolizin-6-yl)methyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[(7-fluoro-5-oxo-3H-indolizin-6-yl)methyl]-2-methylpropanamide
PubChem CID148533312
Molecular FormulaC13H15FN2O2
Molecular Weight250.27 g/mol
Exact Mass250.11
IUPAC NameN-[(7-fluoro-5-oxo-3H-indolizin-6-yl)methyl]-2-methylpropanamide
SMILESCC(C)C(=O)NCc1c(F)cc2n(c1=O)CC=C2
InChIInChI=1S/C13H15FN2O2/c1-8(2)12(17)15-7-10-11(14)6-9-4-3-5-16(9)13(10)18/h3-4,6,8H,5,7H2,1-2H3,(H,15,17)
InChIKeyMQSCNAIFEJSCBU-UHFFFAOYSA-N
XLogP1.29
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.27
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(7-fluoro-5-oxo-3H-indolizin-6-yl)methyl]-2-methylpropanamide?
The IUPAC name of N-[(7-fluoro-5-oxo-3H-indolizin-6-yl)methyl]-2-methylpropanamide (CID 148533312) is N-[(7-fluoro-5-oxo-3H-indolizin-6-yl)methyl]-2-methylpropanamide.
What is the SMILES notation for N-[(7-fluoro-5-oxo-3H-indolizin-6-yl)methyl]-2-methylpropanamide?
The canonical SMILES for N-[(7-fluoro-5-oxo-3H-indolizin-6-yl)methyl]-2-methylpropanamide is CC(C)C(=O)NCc1c(F)cc2n(c1=O)CC=C2.
What is the InChIKey of N-[(7-fluoro-5-oxo-3H-indolizin-6-yl)methyl]-2-methylpropanamide?
The InChIKey is MQSCNAIFEJSCBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O2/c1-8(2)12(17)15-7-10-11(14)6-9-4-3-5-16(9)13(10)18/h3-4,6,8H,5,7H2,1-2H3,(H,15,17).
What are the key properties of N-[(7-fluoro-5-oxo-3H-indolizin-6-yl)methyl]-2-methylpropanamide?
N-[(7-fluoro-5-oxo-3H-indolizin-6-yl)methyl]-2-methylpropanamide has a molecular weight of 250.27 g/mol, XLogP of 1.29, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(7-fluoro-5-oxo-3H-indolizin-6-yl)methyl]-2-methylpropanamide is sourced from PubChem (CID 148533312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).