[(1E)-cyclododecen-1-yl]-indol-1-ylmethanone

C21H27NO — CID 126970700

IUPAC[(1E)-cyclododecen-1-yl]-indol-1-ylmethanone
SMILESO=C(/C1=C/CCCCCCCCCC1)n1ccc2ccccc21
InChIInChI=1S/C21H27NO/c23-21(22-17-16-18-12-10-11-15-20(18)22)19-13-8-6-4-2-1-3-5-7-9-14-19/h10-13,15-17H,1-9,14H2/b19-13+
InChIKeyNWXMTIGEAGDFKO-CPNJWEJPSA-N
MW309.45 g/mol
LogP6.12
Rot. Bonds1

About [(1E)-cyclododecen-1-yl]-indol-1-ylmethanone

[(1E)-cyclododecen-1-yl]-indol-1-ylmethanone (PubChem CID 126970700) has the molecular formula C21H27NO and a molecular weight of 309.45 g/mol. Its IUPAC name is [(1E)-cyclododecen-1-yl]-indol-1-ylmethanone.

Molecular Properties

Compound Name[(1E)-cyclododecen-1-yl]-indol-1-ylmethanone
PubChem CID126970700
Molecular FormulaC21H27NO
Molecular Weight309.45 g/mol
Exact Mass309.21
IUPAC Name[(1E)-cyclododecen-1-yl]-indol-1-ylmethanone
SMILESO=C(/C1=C/CCCCCCCCCC1)n1ccc2ccccc21
InChIInChI=1S/C21H27NO/c23-21(22-17-16-18-12-10-11-15-20(18)22)19-13-8-6-4-2-1-3-5-7-9-14-19/h10-13,15-17H,1-9,14H2/b19-13+
InChIKeyNWXMTIGEAGDFKO-CPNJWEJPSA-N
XLogP6.12
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500309.45
LogP ≤ 56.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze [(1E)-cyclododecen-1-yl]-indol-1-ylmethanone 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

cyclohexen-1-yl(indol-1-yl)methanone
CID 71503982
indol-1-yl-(4-methylphenyl)methanone
CID 10955526
1-indol-1-ylethanone;hydrochloride
CID 21333501
cyclohexen-1-yl(naphthalen-2-yl)methanone
CID 62078640
cyclohepten-1-yl(quinolin-2-yl)methanone
CID 106651833
1-indol-1-yl-2-methylpropan-1-one
CID 12637473
2,2-dichloro-1-indol-1-ylethanone
CID 15325054
fluoro indole-1-carboxylate
CID 129249849
indol-1-yl-(2-methoxyphenyl)methanone
CID 39846486
N-cyclopentylindole-1-carboxamide
CID 141083697
N-[[4-(piperidine-1-carbonyl)phenyl]methyl]indole-1-carboxamide
CID 171536234
1,3-benzodioxol-5-yl(indol-1-yl)methanone
CID 11129204

Frequently Asked Questions

What is the IUPAC name of [(1E)-cyclododecen-1-yl]-indol-1-ylmethanone?
The IUPAC name of [(1E)-cyclododecen-1-yl]-indol-1-ylmethanone (CID 126970700) is [(1E)-cyclododecen-1-yl]-indol-1-ylmethanone.
What is the SMILES notation for [(1E)-cyclododecen-1-yl]-indol-1-ylmethanone?
The canonical SMILES for [(1E)-cyclododecen-1-yl]-indol-1-ylmethanone is O=C(/C1=C/CCCCCCCCCC1)n1ccc2ccccc21.
What is the InChIKey of [(1E)-cyclododecen-1-yl]-indol-1-ylmethanone?
The InChIKey is NWXMTIGEAGDFKO-CPNJWEJPSA-N. The full InChI is InChI=1S/C21H27NO/c23-21(22-17-16-18-12-10-11-15-20(18)22)19-13-8-6-4-2-1-3-5-7-9-14-19/h10-13,15-17H,1-9,14H2/b19-13+.
What are the key properties of [(1E)-cyclododecen-1-yl]-indol-1-ylmethanone?
[(1E)-cyclododecen-1-yl]-indol-1-ylmethanone has a molecular weight of 309.45 g/mol, XLogP of 6.12, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1E)-cyclododecen-1-yl]-indol-1-ylmethanone is sourced from PubChem (CID 126970700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).