2-(2,3-dihydro-1H-inden-5-yloxy)-1-(1-methylpyrrol-3-yl)ethanone

C16H17NO2 — CID 43411823

IUPAC2-(2,3-dihydro-1H-inden-5-yloxy)-1-(1-methylpyrrol-3-yl)ethanone
SMILESCn1ccc(C(=O)COc2ccc3c(c2)CCC3)c1
InChIInChI=1S/C16H17NO2/c1-17-8-7-14(10-17)16(18)11-19-15-6-5-12-3-2-4-13(12)9-15/h5-10H,2-4,11H2,1H3
InChIKeyBUCPQRIZFQDJOK-UHFFFAOYSA-N
MW255.32 g/mol
LogP2.78
Rot. Bonds4

About 2-(2,3-dihydro-1H-inden-5-yloxy)-1-(1-methylpyrrol-3-yl)ethanone

2-(2,3-dihydro-1H-inden-5-yloxy)-1-(1-methylpyrrol-3-yl)ethanone (PubChem CID 43411823) has the molecular formula C16H17NO2 and a molecular weight of 255.32 g/mol. Its IUPAC name is 2-(2,3-dihydro-1H-inden-5-yloxy)-1-(1-methylpyrrol-3-yl)ethanone.

Molecular Properties

Compound Name2-(2,3-dihydro-1H-inden-5-yloxy)-1-(1-methylpyrrol-3-yl)ethanone
PubChem CID43411823
Molecular FormulaC16H17NO2
Molecular Weight255.32 g/mol
Exact Mass255.13
IUPAC Name2-(2,3-dihydro-1H-inden-5-yloxy)-1-(1-methylpyrrol-3-yl)ethanone
SMILESCn1ccc(C(=O)COc2ccc3c(c2)CCC3)c1
InChIInChI=1S/C16H17NO2/c1-17-8-7-14(10-17)16(18)11-19-15-6-5-12-3-2-4-13(12)9-15/h5-10H,2-4,11H2,1H3
InChIKeyBUCPQRIZFQDJOK-UHFFFAOYSA-N
XLogP2.78
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chlorophenyl)-2-(2,3-dihydro-1H-inden-5-yloxy)ethanone
CID 43411846
methyl 2-(2,3-dihydro-1H-inden-5-yloxy)acetate
CID 43082820
1-(2,3-dihydro-1H-inden-5-yloxy)butan-2-one
CID 62038923
4-[2-(1-methylpyrrol-3-yl)-2-oxoethoxy]benzonitrile
CID 31411184
1-(2,3-dihydro-1H-inden-5-yl)-2-(3-fluoro-4-methylphenoxy)ethanone
CID 107169810
1-(1-methylpyrrol-3-yl)-2-[4-(trifluoromethyl)phenoxy]ethanone
CID 60624057
2-(2,3-dihydro-1H-inden-5-yloxy)-1-(2,5-dimethylphenyl)ethanone
CID 43411830
2-(2,3-dihydro-1H-inden-5-yloxy)-N-methoxyacetamide
CID 51275231
2-(2,3-dihydro-1H-inden-5-yloxy)-1-(furan-2-yl)ethanone
CID 43411851
2-(2,3-dihydro-1H-inden-5-yloxy)-1-thiophen-2-ylethanone
CID 43411849
2-(4-iodophenoxy)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
CID 2953479
(E)-4-(2,3-dihydro-1H-inden-5-yloxy)-3-methylbut-2-enoic acid
CID 55236131

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1H-inden-5-yloxy)-1-(1-methylpyrrol-3-yl)ethanone?
The IUPAC name of 2-(2,3-dihydro-1H-inden-5-yloxy)-1-(1-methylpyrrol-3-yl)ethanone (CID 43411823) is 2-(2,3-dihydro-1H-inden-5-yloxy)-1-(1-methylpyrrol-3-yl)ethanone.
What is the SMILES notation for 2-(2,3-dihydro-1H-inden-5-yloxy)-1-(1-methylpyrrol-3-yl)ethanone?
The canonical SMILES for 2-(2,3-dihydro-1H-inden-5-yloxy)-1-(1-methylpyrrol-3-yl)ethanone is Cn1ccc(C(=O)COc2ccc3c(c2)CCC3)c1.
What is the InChIKey of 2-(2,3-dihydro-1H-inden-5-yloxy)-1-(1-methylpyrrol-3-yl)ethanone?
The InChIKey is BUCPQRIZFQDJOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO2/c1-17-8-7-14(10-17)16(18)11-19-15-6-5-12-3-2-4-13(12)9-15/h5-10H,2-4,11H2,1H3.
What are the key properties of 2-(2,3-dihydro-1H-inden-5-yloxy)-1-(1-methylpyrrol-3-yl)ethanone?
2-(2,3-dihydro-1H-inden-5-yloxy)-1-(1-methylpyrrol-3-yl)ethanone has a molecular weight of 255.32 g/mol, XLogP of 2.78, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1H-inden-5-yloxy)-1-(1-methylpyrrol-3-yl)ethanone is sourced from PubChem (CID 43411823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).