oxolan-2-yl-(5-propoxy-1H-indol-3-yl)methanone

C16H19NO3 — CID 80643741

IUPACoxolan-2-yl-(5-propoxy-1H-indol-3-yl)methanone
SMILESCCCOc1ccc2[nH]cc(C(=O)C3CCCO3)c2c1
InChIInChI=1S/C16H19NO3/c1-2-7-19-11-5-6-14-12(9-11)13(10-17-14)16(18)15-4-3-8-20-15/h5-6,9-10,15,17H,2-4,7-8H2,1H3
InChIKeyNMKWGFUJAZOBNS-UHFFFAOYSA-N
MW273.33 g/mol
LogP3.32
Rot. Bonds5

About oxolan-2-yl-(5-propoxy-1H-indol-3-yl)methanone

oxolan-2-yl-(5-propoxy-1H-indol-3-yl)methanone (PubChem CID 80643741) has the molecular formula C16H19NO3 and a molecular weight of 273.33 g/mol. Its IUPAC name is oxolan-2-yl-(5-propoxy-1H-indol-3-yl)methanone.

Molecular Properties

Compound Nameoxolan-2-yl-(5-propoxy-1H-indol-3-yl)methanone
PubChem CID80643741
Molecular FormulaC16H19NO3
Molecular Weight273.33 g/mol
Exact Mass273.14
IUPAC Nameoxolan-2-yl-(5-propoxy-1H-indol-3-yl)methanone
SMILESCCCOc1ccc2[nH]cc(C(=O)C3CCCO3)c2c1
InChIInChI=1S/C16H19NO3/c1-2-7-19-11-5-6-14-12(9-11)13(10-17-14)16(18)15-4-3-8-20-15/h5-6,9-10,15,17H,2-4,7-8H2,1H3
InChIKeyNMKWGFUJAZOBNS-UHFFFAOYSA-N
XLogP3.32
TPSA51.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

cyclohexyl-(5-propoxy-1H-indol-3-yl)methanone
CID 80649092
3,3-dimethyl-1-(5-propoxy-1H-indol-3-yl)butan-1-one
CID 80642952
(5-chloro-1H-indol-3-yl)-(oxolan-2-yl)methanone
CID 63879050
4-oxo-4-(5-propoxy-1H-indol-3-yl)butanoic acid
CID 80643674
furan-3-yl-(5-propoxy-1H-indol-3-yl)methanone
CID 80643315
(5-nitro-1H-indol-3-yl)-(oxan-2-yl)methanone
CID 62215299
3-bromo-4-oxo-4-(5-propoxy-1H-indol-3-yl)butanoic acid
CID 80649238
(2R)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]oxolane-2-carboxamide
CID 7068767
1-(5-ethoxy-1H-indol-3-yl)heptan-1-one
CID 114752203
(1,1-dioxothiolan-3-yl)-(5-ethoxy-1H-indol-3-yl)methanone
CID 80649078
1-(5-ethoxy-1H-indol-3-yl)-3,4,4-trimethylpentan-1-one
CID 80649085
3-bromo-6-propoxy-1H-quinolin-4-one
CID 114759446

Frequently Asked Questions

What is the IUPAC name of oxolan-2-yl-(5-propoxy-1H-indol-3-yl)methanone?
The IUPAC name of oxolan-2-yl-(5-propoxy-1H-indol-3-yl)methanone (CID 80643741) is oxolan-2-yl-(5-propoxy-1H-indol-3-yl)methanone.
What is the SMILES notation for oxolan-2-yl-(5-propoxy-1H-indol-3-yl)methanone?
The canonical SMILES for oxolan-2-yl-(5-propoxy-1H-indol-3-yl)methanone is CCCOc1ccc2[nH]cc(C(=O)C3CCCO3)c2c1.
What is the InChIKey of oxolan-2-yl-(5-propoxy-1H-indol-3-yl)methanone?
The InChIKey is NMKWGFUJAZOBNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3/c1-2-7-19-11-5-6-14-12(9-11)13(10-17-14)16(18)15-4-3-8-20-15/h5-6,9-10,15,17H,2-4,7-8H2,1H3.
What are the key properties of oxolan-2-yl-(5-propoxy-1H-indol-3-yl)methanone?
oxolan-2-yl-(5-propoxy-1H-indol-3-yl)methanone has a molecular weight of 273.33 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for oxolan-2-yl-(5-propoxy-1H-indol-3-yl)methanone is sourced from PubChem (CID 80643741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).