(3-methyloxolan-2-yl)-(4-propoxy-1H-indol-3-yl)methanone

C17H21NO3 — CID 83164226

IUPAC(3-methyloxolan-2-yl)-(4-propoxy-1H-indol-3-yl)methanone
SMILESCCCOc1cccc2[nH]cc(C(=O)C3OCCC3C)c12
InChIInChI=1S/C17H21NO3/c1-3-8-20-14-6-4-5-13-15(14)12(10-18-13)16(19)17-11(2)7-9-21-17/h4-6,10-11,17-18H,3,7-9H2,1-2H3
InChIKeyIDIVHIYXPINVNQ-UHFFFAOYSA-N
MW287.36 g/mol
LogP3.56
Rot. Bonds5

About (3-methyloxolan-2-yl)-(4-propoxy-1H-indol-3-yl)methanone

(3-methyloxolan-2-yl)-(4-propoxy-1H-indol-3-yl)methanone (PubChem CID 83164226) has the molecular formula C17H21NO3 and a molecular weight of 287.36 g/mol. Its IUPAC name is (3-methyloxolan-2-yl)-(4-propoxy-1H-indol-3-yl)methanone.

Molecular Properties

Compound Name(3-methyloxolan-2-yl)-(4-propoxy-1H-indol-3-yl)methanone
PubChem CID83164226
Molecular FormulaC17H21NO3
Molecular Weight287.36 g/mol
Exact Mass287.15
IUPAC Name(3-methyloxolan-2-yl)-(4-propoxy-1H-indol-3-yl)methanone
SMILESCCCOc1cccc2[nH]cc(C(=O)C3OCCC3C)c12
InChIInChI=1S/C17H21NO3/c1-3-8-20-14-6-4-5-13-15(14)12(10-18-13)16(19)17-11(2)7-9-21-17/h4-6,10-11,17-18H,3,7-9H2,1-2H3
InChIKeyIDIVHIYXPINVNQ-UHFFFAOYSA-N
XLogP3.56
TPSA51.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-bicyclo[3.1.0]hexanyl-(4-propoxy-1H-indol-3-yl)methanone
CID 83164068
3-bromo-4-oxo-4-(4-propoxy-1H-indol-3-yl)butanoic acid
CID 83164418
cyclohexyl-(4-ethoxy-1H-indol-3-yl)methanone
CID 83162479
2-methylsulfonyl-1-(4-propoxy-1H-indol-3-yl)ethanone
CID 83162483
furan-3-yl-(4-propoxy-1H-indol-3-yl)methanone
CID 83163488
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-propoxy-1H-indol-3-yl)-pyrrolidin-2-ylmethanol
CID 83162582
(2,3-dichlorophenyl)-(3-methyloxolan-2-yl)methanone
CID 114970423
3-phenyl-4-propoxy-1H-indole
CID 90764828
N,N-dimethyl-2-[4-(oxan-4-ylmethoxy)-1H-indol-3-yl]-2-oxoacetamide;ethane
CID 178015107

Frequently Asked Questions

What is the IUPAC name of (3-methyloxolan-2-yl)-(4-propoxy-1H-indol-3-yl)methanone?
The IUPAC name of (3-methyloxolan-2-yl)-(4-propoxy-1H-indol-3-yl)methanone (CID 83164226) is (3-methyloxolan-2-yl)-(4-propoxy-1H-indol-3-yl)methanone.
What is the SMILES notation for (3-methyloxolan-2-yl)-(4-propoxy-1H-indol-3-yl)methanone?
The canonical SMILES for (3-methyloxolan-2-yl)-(4-propoxy-1H-indol-3-yl)methanone is CCCOc1cccc2[nH]cc(C(=O)C3OCCC3C)c12.
What is the InChIKey of (3-methyloxolan-2-yl)-(4-propoxy-1H-indol-3-yl)methanone?
The InChIKey is IDIVHIYXPINVNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO3/c1-3-8-20-14-6-4-5-13-15(14)12(10-18-13)16(19)17-11(2)7-9-21-17/h4-6,10-11,17-18H,3,7-9H2,1-2H3.
What are the key properties of (3-methyloxolan-2-yl)-(4-propoxy-1H-indol-3-yl)methanone?
(3-methyloxolan-2-yl)-(4-propoxy-1H-indol-3-yl)methanone has a molecular weight of 287.36 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyloxolan-2-yl)-(4-propoxy-1H-indol-3-yl)methanone is sourced from PubChem (CID 83164226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).