1-(4-methoxybutyl)-5-methyl-6H-pyrrolo[2,3-c]pyridin-7-one

C13H18N2O2 — CID 102942265

IUPAC1-(4-methoxybutyl)-5-methyl-6H-pyrrolo[2,3-c]pyridin-7-one
SMILESCOCCCCn1ccc2cc(C)[nH]c(=O)c21
InChIInChI=1S/C13H18N2O2/c1-10-9-11-5-7-15(6-3-4-8-17-2)12(11)13(16)14-10/h5,7,9H,3-4,6,8H2,1-2H3,(H,14,16)
InChIKeyYPPMHDKHGVIWQW-UHFFFAOYSA-N
MW234.30 g/mol
LogP2.06
Rot. Bonds5

About 1-(4-methoxybutyl)-5-methyl-6H-pyrrolo[2,3-c]pyridin-7-one

1-(4-methoxybutyl)-5-methyl-6H-pyrrolo[2,3-c]pyridin-7-one (PubChem CID 102942265) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 1-(4-methoxybutyl)-5-methyl-6H-pyrrolo[2,3-c]pyridin-7-one.

Molecular Properties

Compound Name1-(4-methoxybutyl)-5-methyl-6H-pyrrolo[2,3-c]pyridin-7-one
PubChem CID102942265
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name1-(4-methoxybutyl)-5-methyl-6H-pyrrolo[2,3-c]pyridin-7-one
SMILESCOCCCCn1ccc2cc(C)[nH]c(=O)c21
InChIInChI=1S/C13H18N2O2/c1-10-9-11-5-7-15(6-3-4-8-17-2)12(11)13(16)14-10/h5,7,9H,3-4,6,8H2,1-2H3,(H,14,16)
InChIKeyYPPMHDKHGVIWQW-UHFFFAOYSA-N
XLogP2.06
TPSA47.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(2-chloroethyl)-5-methyl-6H-pyrrolo[2,3-c]pyridin-7-one
CID 102942271
1-(2-bromoethyl)-5-methyl-6H-pyrrolo[2,3-c]pyridin-7-one
CID 102942268
7-chloro-1-(4-methoxybutyl)indole
CID 103475434
1-(4-methoxybutyl)indole-6-carbaldehyde
CID 102910948
1-(4-methoxybutyl)-3-methylimidazol-2-one
CID 115773746
1-(2-methoxyethyl)-5-methylindole
CID 116622979
[1-(4-methoxybutyl)indol-5-yl]methanol
CID 102912647
1-(3-methoxypropyl)indol-6-amine
CID 58005499
2-[(3,4-dimethylphenyl)methylamino]-7-(4-methoxybutyl)-1H-purin-6-one
CID 135522314
CID 176997123
CID 176997123
1-(4-methoxybutyl)pyridin-4-one
CID 116622413
3-(3-aminopropyl)-1-(4-methoxybutyl)pyrimidine-2,4-dione
CID 106933817

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxybutyl)-5-methyl-6H-pyrrolo[2,3-c]pyridin-7-one?
The IUPAC name of 1-(4-methoxybutyl)-5-methyl-6H-pyrrolo[2,3-c]pyridin-7-one (CID 102942265) is 1-(4-methoxybutyl)-5-methyl-6H-pyrrolo[2,3-c]pyridin-7-one.
What is the SMILES notation for 1-(4-methoxybutyl)-5-methyl-6H-pyrrolo[2,3-c]pyridin-7-one?
The canonical SMILES for 1-(4-methoxybutyl)-5-methyl-6H-pyrrolo[2,3-c]pyridin-7-one is COCCCCn1ccc2cc(C)[nH]c(=O)c21.
What is the InChIKey of 1-(4-methoxybutyl)-5-methyl-6H-pyrrolo[2,3-c]pyridin-7-one?
The InChIKey is YPPMHDKHGVIWQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-10-9-11-5-7-15(6-3-4-8-17-2)12(11)13(16)14-10/h5,7,9H,3-4,6,8H2,1-2H3,(H,14,16).
What are the key properties of 1-(4-methoxybutyl)-5-methyl-6H-pyrrolo[2,3-c]pyridin-7-one?
1-(4-methoxybutyl)-5-methyl-6H-pyrrolo[2,3-c]pyridin-7-one has a molecular weight of 234.30 g/mol, XLogP of 2.06, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxybutyl)-5-methyl-6H-pyrrolo[2,3-c]pyridin-7-one is sourced from PubChem (CID 102942265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).