6-bicyclo[3.1.0]hexanyl-(4-propoxy-1H-indol-3-yl)methanone

C18H21NO2 — CID 83164068

IUPAC6-bicyclo[3.1.0]hexanyl-(4-propoxy-1H-indol-3-yl)methanone
SMILESCCCOc1cccc2[nH]cc(C(=O)C3C4CCCC43)c12
InChIInChI=1S/C18H21NO2/c1-2-9-21-15-8-4-7-14-17(15)13(10-19-14)18(20)16-11-5-3-6-12(11)16/h4,7-8,10-12,16,19H,2-3,5-6,9H2,1H3
InChIKeyDACFFIXXCGJBLQ-UHFFFAOYSA-N
MW283.37 g/mol
LogP4.19
Rot. Bonds5

About 6-bicyclo[3.1.0]hexanyl-(4-propoxy-1H-indol-3-yl)methanone

6-bicyclo[3.1.0]hexanyl-(4-propoxy-1H-indol-3-yl)methanone (PubChem CID 83164068) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is 6-bicyclo[3.1.0]hexanyl-(4-propoxy-1H-indol-3-yl)methanone.

Molecular Properties

Compound Name6-bicyclo[3.1.0]hexanyl-(4-propoxy-1H-indol-3-yl)methanone
PubChem CID83164068
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC Name6-bicyclo[3.1.0]hexanyl-(4-propoxy-1H-indol-3-yl)methanone
SMILESCCCOc1cccc2[nH]cc(C(=O)C3C4CCCC43)c12
InChIInChI=1S/C18H21NO2/c1-2-9-21-15-8-4-7-14-17(15)13(10-19-14)18(20)16-11-5-3-6-12(11)16/h4,7-8,10-12,16,19H,2-3,5-6,9H2,1H3
InChIKeyDACFFIXXCGJBLQ-UHFFFAOYSA-N
XLogP4.19
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 6-bicyclo[3.1.0]hexanyl-(4-propoxy-1H-indol-3-yl)methanone with MolForge

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Related Compounds

(3-methyloxolan-2-yl)-(4-propoxy-1H-indol-3-yl)methanone
CID 83164226
cyclohexyl-(4-ethoxy-1H-indol-3-yl)methanone
CID 83162479
2-methylsulfonyl-1-(4-propoxy-1H-indol-3-yl)ethanone
CID 83162483
7-bicyclo[4.1.0]heptanyl-(4-fluoro-1H-indol-3-yl)methanone
CID 82792286
3-bromo-4-oxo-4-(4-propoxy-1H-indol-3-yl)butanoic acid
CID 83164418
furan-3-yl-(4-propoxy-1H-indol-3-yl)methanone
CID 83163488
(4-propoxy-1H-indol-3-yl)-pyrrolidin-2-ylmethanol
CID 83162582
1-(4-cyclobutyloxy-1H-indol-3-yl)ethanone
CID 83918329
piperidin-4-yl-(4-propoxy-1H-indol-3-yl)methanol
CID 83164729
4-propoxy-1H-indole-3-sulfonamide
CID 83174186
2-chloro-1-(4-ethoxy-1H-indol-3-yl)ethanone
CID 83162554
(4-ethoxy-1H-indol-3-yl)-(1-ethylcyclopentyl)methanone
CID 83164060

Frequently Asked Questions

What is the IUPAC name of 6-bicyclo[3.1.0]hexanyl-(4-propoxy-1H-indol-3-yl)methanone?
The IUPAC name of 6-bicyclo[3.1.0]hexanyl-(4-propoxy-1H-indol-3-yl)methanone (CID 83164068) is 6-bicyclo[3.1.0]hexanyl-(4-propoxy-1H-indol-3-yl)methanone.
What is the SMILES notation for 6-bicyclo[3.1.0]hexanyl-(4-propoxy-1H-indol-3-yl)methanone?
The canonical SMILES for 6-bicyclo[3.1.0]hexanyl-(4-propoxy-1H-indol-3-yl)methanone is CCCOc1cccc2[nH]cc(C(=O)C3C4CCCC43)c12.
What is the InChIKey of 6-bicyclo[3.1.0]hexanyl-(4-propoxy-1H-indol-3-yl)methanone?
The InChIKey is DACFFIXXCGJBLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2/c1-2-9-21-15-8-4-7-14-17(15)13(10-19-14)18(20)16-11-5-3-6-12(11)16/h4,7-8,10-12,16,19H,2-3,5-6,9H2,1H3.
What are the key properties of 6-bicyclo[3.1.0]hexanyl-(4-propoxy-1H-indol-3-yl)methanone?
6-bicyclo[3.1.0]hexanyl-(4-propoxy-1H-indol-3-yl)methanone has a molecular weight of 283.37 g/mol, XLogP of 4.19, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bicyclo[3.1.0]hexanyl-(4-propoxy-1H-indol-3-yl)methanone is sourced from PubChem (CID 83164068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).