3-amino-6-(4-bromophenyl)-4-propylpyran-2-one

C14H14BrNO2 — CID 141241879

IUPAC3-amino-6-(4-bromophenyl)-4-propylpyran-2-one
SMILESCCCc1cc(-c2ccc(Br)cc2)oc(=O)c1N
InChIInChI=1S/C14H14BrNO2/c1-2-3-10-8-12(18-14(17)13(10)16)9-4-6-11(15)7-5-9/h4-8H,2-3,16H2,1H3
InChIKeyCYZSAIKKMUKZSN-UHFFFAOYSA-N
MW308.18 g/mol
LogP3.60
Rot. Bonds3

About 3-amino-6-(4-bromophenyl)-4-propylpyran-2-one

3-amino-6-(4-bromophenyl)-4-propylpyran-2-one (PubChem CID 141241879) has the molecular formula C14H14BrNO2 and a molecular weight of 308.18 g/mol. Its IUPAC name is 3-amino-6-(4-bromophenyl)-4-propylpyran-2-one.

Molecular Properties

Compound Name3-amino-6-(4-bromophenyl)-4-propylpyran-2-one
PubChem CID141241879
Molecular FormulaC14H14BrNO2
Molecular Weight308.18 g/mol
Exact Mass307.02
IUPAC Name3-amino-6-(4-bromophenyl)-4-propylpyran-2-one
SMILESCCCc1cc(-c2ccc(Br)cc2)oc(=O)c1N
InChIInChI=1S/C14H14BrNO2/c1-2-3-10-8-12(18-14(17)13(10)16)9-4-6-11(15)7-5-9/h4-8H,2-3,16H2,1H3
InChIKeyCYZSAIKKMUKZSN-UHFFFAOYSA-N
XLogP3.60
TPSA56.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.18
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-amino-6-(4-bromophenyl)-4-propylpyran-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(4-bromobenzoyl)-6-phenyl-4-propylpyran-2-one
CID 56931658
3-(4-methylbenzoyl)-6-phenyl-4-propylpyran-2-one
CID 56931655
6-bromo-3-propylchromen-2-one
CID 57275772
2-(4-bromophenyl)-6-methylpyran-4-one
CID 101175754
ethyl 5-(4-bromophenyl)-2-(trifluoromethyl)furan-3-carboxylate
CID 91654866
5,8-dimethyl-3-propylchromen-2-one
CID 138453827
3-(4-bromophenyl)-7-methoxy-2-methyl-6-propylchromen-4-one
CID 4533343
ethyl 2-[3-(4-bromophenyl)cyclopenta[c]pyran-1-yl]acetate
CID 70609619
5-methoxy-2-(4-methoxyphenyl)-7-propyl-1-benzofuran
CID 10214897
5-(4-bromophenyl)-4-propyl-1,2-oxazol-3-amine
CID 79411623
7-[(4-bromophenyl)methoxy]-4-propylchromen-2-one
CID 22310572
ethane;methane;5-methoxy-2-(4-methoxyphenyl)-7-propyl-1-benzofuran
CID 142256355

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-(4-bromophenyl)-4-propylpyran-2-one?
The IUPAC name of 3-amino-6-(4-bromophenyl)-4-propylpyran-2-one (CID 141241879) is 3-amino-6-(4-bromophenyl)-4-propylpyran-2-one.
What is the SMILES notation for 3-amino-6-(4-bromophenyl)-4-propylpyran-2-one?
The canonical SMILES for 3-amino-6-(4-bromophenyl)-4-propylpyran-2-one is CCCc1cc(-c2ccc(Br)cc2)oc(=O)c1N.
What is the InChIKey of 3-amino-6-(4-bromophenyl)-4-propylpyran-2-one?
The InChIKey is CYZSAIKKMUKZSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrNO2/c1-2-3-10-8-12(18-14(17)13(10)16)9-4-6-11(15)7-5-9/h4-8H,2-3,16H2,1H3.
What are the key properties of 3-amino-6-(4-bromophenyl)-4-propylpyran-2-one?
3-amino-6-(4-bromophenyl)-4-propylpyran-2-one has a molecular weight of 308.18 g/mol, XLogP of 3.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-(4-bromophenyl)-4-propylpyran-2-one is sourced from PubChem (CID 141241879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).