2,3-dihydro-1H-inden-5-yl-(5-propoxy-3-pyridinyl)methanone

C18H19NO2 — CID 115794025

IUPAC2,3-dihydro-1H-inden-5-yl-(5-propoxy-3-pyridinyl)methanone
SMILESCCCOc1cncc(C(=O)c2ccc3c(c2)CCC3)c1
InChIInChI=1S/C18H19NO2/c1-2-8-21-17-10-16(11-19-12-17)18(20)15-7-6-13-4-3-5-14(13)9-15/h6-7,9-12H,2-5,8H2,1H3
InChIKeyNSOJYSAVFWQSOC-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.59
Rot. Bonds5

About 2,3-dihydro-1H-inden-5-yl-(5-propoxy-3-pyridinyl)methanone

2,3-dihydro-1H-inden-5-yl-(5-propoxy-3-pyridinyl)methanone (PubChem CID 115794025) has the molecular formula C18H19NO2 and a molecular weight of 281.36 g/mol. Its IUPAC name is 2,3-dihydro-1H-inden-5-yl-(5-propoxy-3-pyridinyl)methanone.

Molecular Properties

Compound Name2,3-dihydro-1H-inden-5-yl-(5-propoxy-3-pyridinyl)methanone
PubChem CID115794025
Molecular FormulaC18H19NO2
Molecular Weight281.36 g/mol
Exact Mass281.14
IUPAC Name2,3-dihydro-1H-inden-5-yl-(5-propoxy-3-pyridinyl)methanone
SMILESCCCOc1cncc(C(=O)c2ccc3c(c2)CCC3)c1
InChIInChI=1S/C18H19NO2/c1-2-8-21-17-10-16(11-19-12-17)18(20)15-7-6-13-4-3-5-14(13)9-15/h6-7,9-12H,2-5,8H2,1H3
InChIKeyNSOJYSAVFWQSOC-UHFFFAOYSA-N
XLogP3.59
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,3-dihydro-1H-indol-5-yl-(5-propoxy-3-pyridinyl)methanone
CID 116554126
(3-amino-4-chlorophenyl)-(5-propoxy-3-pyridinyl)methanone
CID 116552207
(5-bromo-3-pyridinyl)-(2,3-dihydro-1H-inden-5-yl)methanone
CID 43161073
(4-methylsulfanylphenyl)-(5-propoxy-3-pyridinyl)methanone
CID 115794168
(4-fluoro-3-methoxyphenyl)-(5-propoxy-3-pyridinyl)methanone
CID 115794189
2,3-dihydro-1H-inden-5-yl-(5-propoxy-3-pyridinyl)methanol
CID 115829169
(2-amino-5-bromophenyl)-(5-propoxy-3-pyridinyl)methanone
CID 82703850
(3-amino-2-pyridinyl)-(5-propoxy-3-pyridinyl)methanone
CID 116613749
(5-methylthiophen-2-yl)-(5-propoxy-3-pyridinyl)methanone
CID 115794116
(5-chloro-2-fluorophenyl)-(5-propoxy-3-pyridinyl)methanone
CID 114885218
(2,3-dichlorophenyl)-(5-propoxy-3-pyridinyl)methanone
CID 115793950
2,2-difluoro-1-(5-propoxy-3-pyridinyl)ethanone
CID 112574299

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1H-inden-5-yl-(5-propoxy-3-pyridinyl)methanone?
The IUPAC name of 2,3-dihydro-1H-inden-5-yl-(5-propoxy-3-pyridinyl)methanone (CID 115794025) is 2,3-dihydro-1H-inden-5-yl-(5-propoxy-3-pyridinyl)methanone.
What is the SMILES notation for 2,3-dihydro-1H-inden-5-yl-(5-propoxy-3-pyridinyl)methanone?
The canonical SMILES for 2,3-dihydro-1H-inden-5-yl-(5-propoxy-3-pyridinyl)methanone is CCCOc1cncc(C(=O)c2ccc3c(c2)CCC3)c1.
What is the InChIKey of 2,3-dihydro-1H-inden-5-yl-(5-propoxy-3-pyridinyl)methanone?
The InChIKey is NSOJYSAVFWQSOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO2/c1-2-8-21-17-10-16(11-19-12-17)18(20)15-7-6-13-4-3-5-14(13)9-15/h6-7,9-12H,2-5,8H2,1H3.
What are the key properties of 2,3-dihydro-1H-inden-5-yl-(5-propoxy-3-pyridinyl)methanone?
2,3-dihydro-1H-inden-5-yl-(5-propoxy-3-pyridinyl)methanone has a molecular weight of 281.36 g/mol, XLogP of 3.59, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1H-inden-5-yl-(5-propoxy-3-pyridinyl)methanone is sourced from PubChem (CID 115794025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).