1-(2-methyl-1H-indol-3-yl)nonan-1-one

C18H25NO — CID 65449117

IUPAC1-(2-methyl-1H-indol-3-yl)nonan-1-one
SMILESCCCCCCCCC(=O)c1c(C)[nH]c2ccccc12
InChIInChI=1S/C18H25NO/c1-3-4-5-6-7-8-13-17(20)18-14(2)19-16-12-10-9-11-15(16)18/h9-12,19H,3-8,13H2,1-2H3
InChIKeyQFCMDSXOXQUBNP-UHFFFAOYSA-N
MW271.40 g/mol
LogP5.41
Rot. Bonds8

About 1-(2-methyl-1H-indol-3-yl)nonan-1-one

1-(2-methyl-1H-indol-3-yl)nonan-1-one (PubChem CID 65449117) has the molecular formula C18H25NO and a molecular weight of 271.40 g/mol. Its IUPAC name is 1-(2-methyl-1H-indol-3-yl)nonan-1-one.

Molecular Properties

Compound Name1-(2-methyl-1H-indol-3-yl)nonan-1-one
PubChem CID65449117
Molecular FormulaC18H25NO
Molecular Weight271.40 g/mol
Exact Mass271.19
IUPAC Name1-(2-methyl-1H-indol-3-yl)nonan-1-one
SMILESCCCCCCCCC(=O)c1c(C)[nH]c2ccccc12
InChIInChI=1S/C18H25NO/c1-3-4-5-6-7-8-13-17(20)18-14(2)19-16-12-10-9-11-15(16)18/h9-12,19H,3-8,13H2,1-2H3
InChIKeyQFCMDSXOXQUBNP-UHFFFAOYSA-N
XLogP5.41
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500271.40
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 4682217
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CID 116915904
2-[butyl(methyl)amino]-1-(2-methyl-1H-indol-3-yl)ethanone
CID 46800797
1-[2-(4-methylphenyl)sulfonyl-1H-indol-3-yl]hexan-1-one
CID 67686971
N-(2-methyl-1H-indol-3-yl)octanamide
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CID 10967536
1-(2-methyl-1H-indol-3-yl)-2-phenylethanone
CID 15577659
2-(dimethylamino)-1-(2-methyl-1H-indol-3-yl)ethanone
CID 804946
1-(9H-carbazol-1-yl)heptan-1-one
CID 174653122
1-anthracen-9-ylhexadecan-1-one
CID 134887627
3-[[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]amino]propanoic acid
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CID 95474523

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-1H-indol-3-yl)nonan-1-one?
The IUPAC name of 1-(2-methyl-1H-indol-3-yl)nonan-1-one (CID 65449117) is 1-(2-methyl-1H-indol-3-yl)nonan-1-one.
What is the SMILES notation for 1-(2-methyl-1H-indol-3-yl)nonan-1-one?
The canonical SMILES for 1-(2-methyl-1H-indol-3-yl)nonan-1-one is CCCCCCCCC(=O)c1c(C)[nH]c2ccccc12.
What is the InChIKey of 1-(2-methyl-1H-indol-3-yl)nonan-1-one?
The InChIKey is QFCMDSXOXQUBNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO/c1-3-4-5-6-7-8-13-17(20)18-14(2)19-16-12-10-9-11-15(16)18/h9-12,19H,3-8,13H2,1-2H3.
What are the key properties of 1-(2-methyl-1H-indol-3-yl)nonan-1-one?
1-(2-methyl-1H-indol-3-yl)nonan-1-one has a molecular weight of 271.40 g/mol, XLogP of 5.41, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-1H-indol-3-yl)nonan-1-one is sourced from PubChem (CID 65449117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).