1-(5-methoxy-1H-indol-3-yl)nonan-1-one

C18H25NO2 — CID 65448551

IUPAC1-(5-methoxy-1H-indol-3-yl)nonan-1-one
SMILESCCCCCCCCC(=O)c1c[nH]c2ccc(OC)cc12
InChIInChI=1S/C18H25NO2/c1-3-4-5-6-7-8-9-18(20)16-13-19-17-11-10-14(21-2)12-15(16)17/h10-13,19H,3-9H2,1-2H3
InChIKeyMKCGBDXHLJSDEY-UHFFFAOYSA-N
MW287.40 g/mol
LogP5.11
Rot. Bonds9

About 1-(5-methoxy-1H-indol-3-yl)nonan-1-one

1-(5-methoxy-1H-indol-3-yl)nonan-1-one (PubChem CID 65448551) has the molecular formula C18H25NO2 and a molecular weight of 287.40 g/mol. Its IUPAC name is 1-(5-methoxy-1H-indol-3-yl)nonan-1-one.

Molecular Properties

Compound Name1-(5-methoxy-1H-indol-3-yl)nonan-1-one
PubChem CID65448551
Molecular FormulaC18H25NO2
Molecular Weight287.40 g/mol
Exact Mass287.19
IUPAC Name1-(5-methoxy-1H-indol-3-yl)nonan-1-one
SMILESCCCCCCCCC(=O)c1c[nH]c2ccc(OC)cc12
InChIInChI=1S/C18H25NO2/c1-3-4-5-6-7-8-9-18(20)16-13-19-17-11-10-14(21-2)12-15(16)17/h10-13,19H,3-9H2,1-2H3
InChIKeyMKCGBDXHLJSDEY-UHFFFAOYSA-N
XLogP5.11
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500287.40
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(5-ethoxy-1H-indol-3-yl)heptan-1-one
CID 114752203
N-[2-(5-methoxy-1H-indol-3-yl)-2-oxoethyl]hexanamide
CID 142044574
4-chloro-1-(5-methoxy-1H-indol-3-yl)butan-1-one
CID 21469454
1-(5-chloro-1H-indol-3-yl)octan-1-one
CID 63878518
2-ethyl-1-(5-methoxy-1H-indol-3-yl)hexan-1-one
CID 43162108
N,N-diethyl-5-methoxy-1H-indole-3-carboxamide
CID 91755801
2-(5-methoxy-1H-indol-3-yl)-2-oxoacetamide
CID 44719462
methyl 3-undecanoyl-1H-indole-6-carboxylate
CID 12799952
4-oxo-4-(5-propoxy-1H-indol-3-yl)butanoic acid
CID 80643674
(5-methoxy-1H-indol-3-yl)-(4-methoxyphenyl)methanone
CID 43340483
2-(5-methoxy-1H-indol-3-yl)-2-oxoacetaldehyde
CID 50901388
2-(1-methoxycyclobutyl)-1-(5-methoxy-1H-indol-3-yl)ethanone
CID 103555921

Frequently Asked Questions

What is the IUPAC name of 1-(5-methoxy-1H-indol-3-yl)nonan-1-one?
The IUPAC name of 1-(5-methoxy-1H-indol-3-yl)nonan-1-one (CID 65448551) is 1-(5-methoxy-1H-indol-3-yl)nonan-1-one.
What is the SMILES notation for 1-(5-methoxy-1H-indol-3-yl)nonan-1-one?
The canonical SMILES for 1-(5-methoxy-1H-indol-3-yl)nonan-1-one is CCCCCCCCC(=O)c1c[nH]c2ccc(OC)cc12.
What is the InChIKey of 1-(5-methoxy-1H-indol-3-yl)nonan-1-one?
The InChIKey is MKCGBDXHLJSDEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO2/c1-3-4-5-6-7-8-9-18(20)16-13-19-17-11-10-14(21-2)12-15(16)17/h10-13,19H,3-9H2,1-2H3.
What are the key properties of 1-(5-methoxy-1H-indol-3-yl)nonan-1-one?
1-(5-methoxy-1H-indol-3-yl)nonan-1-one has a molecular weight of 287.40 g/mol, XLogP of 5.11, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methoxy-1H-indol-3-yl)nonan-1-one is sourced from PubChem (CID 65448551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).