1-(5,7-dimethoxy-1,2-dimethylindol-3-yl)propan-2-one

C15H19NO3 — CID 82500836

IUPAC1-(5,7-dimethoxy-1,2-dimethylindol-3-yl)propan-2-one
SMILESCOc1cc(OC)c2c(c1)c(CC(C)=O)c(C)n2C
InChIInChI=1S/C15H19NO3/c1-9(17)6-12-10(2)16(3)15-13(12)7-11(18-4)8-14(15)19-5/h7-8H,6H2,1-5H3
InChIKeyUZCAPVMGSWNVQF-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.64
Rot. Bonds4

About 1-(5,7-dimethoxy-1,2-dimethylindol-3-yl)propan-2-one

1-(5,7-dimethoxy-1,2-dimethylindol-3-yl)propan-2-one (PubChem CID 82500836) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is 1-(5,7-dimethoxy-1,2-dimethylindol-3-yl)propan-2-one.

Molecular Properties

Compound Name1-(5,7-dimethoxy-1,2-dimethylindol-3-yl)propan-2-one
PubChem CID82500836
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Name1-(5,7-dimethoxy-1,2-dimethylindol-3-yl)propan-2-one
SMILESCOc1cc(OC)c2c(c1)c(CC(C)=O)c(C)n2C
InChIInChI=1S/C15H19NO3/c1-9(17)6-12-10(2)16(3)15-13(12)7-11(18-4)8-14(15)19-5/h7-8H,6H2,1-5H3
InChIKeyUZCAPVMGSWNVQF-UHFFFAOYSA-N
XLogP2.64
TPSA40.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

methyl 5,7-dimethoxy-1,3-dimethylindole-2-carboxylate
CID 15395202
2-(5,7-dimethoxy-1,2-dimethylindol-3-yl)propan-1-amine
CID 82501140
methyl 5,7-dimethoxy-1-methylindole-2-carboxylate
CID 102511974
2-(6,8-dimethoxy-2-methyl-4-oxo-1-propan-2-ylquinolin-3-yl)acetic acid
CID 82240093
2-(4,7-dimethoxy-1,2-dimethylindol-3-yl)acetic acid
CID 82501280
3-(5,7-dimethoxy-1-methylindol-3-yl)propanoic acid
CID 82501282
1-(2-chloro-6-methoxy-4-methylphenyl)propan-2-one
CID 84782491
7-methoxy-1,2,3-trimethylindole-5-carboxylic acid
CID 84696644
4-(7-chloro-4-methoxy-1,2-dimethylindol-3-yl)butan-2-one
CID 98035172
1-(2,4,6-trimethoxyanilino)propan-2-one
CID 115234477
2-(5,7-dimethoxy-2,3-dimethylindol-1-yl)ethanamine
CID 82498803
5,7-dimethoxy-3-methyl-1-prop-2-enylindole-2-carboxylic acid
CID 83969493

Frequently Asked Questions

What is the IUPAC name of 1-(5,7-dimethoxy-1,2-dimethylindol-3-yl)propan-2-one?
The IUPAC name of 1-(5,7-dimethoxy-1,2-dimethylindol-3-yl)propan-2-one (CID 82500836) is 1-(5,7-dimethoxy-1,2-dimethylindol-3-yl)propan-2-one.
What is the SMILES notation for 1-(5,7-dimethoxy-1,2-dimethylindol-3-yl)propan-2-one?
The canonical SMILES for 1-(5,7-dimethoxy-1,2-dimethylindol-3-yl)propan-2-one is COc1cc(OC)c2c(c1)c(CC(C)=O)c(C)n2C.
What is the InChIKey of 1-(5,7-dimethoxy-1,2-dimethylindol-3-yl)propan-2-one?
The InChIKey is UZCAPVMGSWNVQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3/c1-9(17)6-12-10(2)16(3)15-13(12)7-11(18-4)8-14(15)19-5/h7-8H,6H2,1-5H3.
What are the key properties of 1-(5,7-dimethoxy-1,2-dimethylindol-3-yl)propan-2-one?
1-(5,7-dimethoxy-1,2-dimethylindol-3-yl)propan-2-one has a molecular weight of 261.32 g/mol, XLogP of 2.64, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,7-dimethoxy-1,2-dimethylindol-3-yl)propan-2-one is sourced from PubChem (CID 82500836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).