pyrrolidin-1-yl(4H-thieno[3,2-c]chromen-2-yl)methanone

C16H15NO2S — CID 5309238

IUPACpyrrolidin-1-yl(4H-thieno[3,2-c]chromen-2-yl)methanone
SMILESO=C(c1cc2c(s1)-c1ccccc1OC2)N1CCCC1
InChIInChI=1S/C16H15NO2S/c18-16(17-7-3-4-8-17)14-9-11-10-19-13-6-2-1-5-12(13)15(11)20-14/h1-2,5-6,9H,3-4,7-8,10H2
InChIKeyNMSVMZREQJGTQU-UHFFFAOYSA-N
MW285.37 g/mol
LogP3.54
Rot. Bonds1

About pyrrolidin-1-yl(4H-thieno[3,2-c]chromen-2-yl)methanone

pyrrolidin-1-yl(4H-thieno[3,2-c]chromen-2-yl)methanone (PubChem CID 5309238) has the molecular formula C16H15NO2S and a molecular weight of 285.37 g/mol. Its IUPAC name is pyrrolidin-1-yl(4H-thieno[3,2-c]chromen-2-yl)methanone.

Molecular Properties

Compound Namepyrrolidin-1-yl(4H-thieno[3,2-c]chromen-2-yl)methanone
PubChem CID5309238
Molecular FormulaC16H15NO2S
Molecular Weight285.37 g/mol
Exact Mass285.08
IUPAC Namepyrrolidin-1-yl(4H-thieno[3,2-c]chromen-2-yl)methanone
SMILESO=C(c1cc2c(s1)-c1ccccc1OC2)N1CCCC1
InChIInChI=1S/C16H15NO2S/c18-16(17-7-3-4-8-17)14-9-11-10-19-13-6-2-1-5-12(13)15(11)20-14/h1-2,5-6,9H,3-4,7-8,10H2
InChIKeyNMSVMZREQJGTQU-UHFFFAOYSA-N
XLogP3.54
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of pyrrolidin-1-yl(4H-thieno[3,2-c]chromen-2-yl)methanone?
The IUPAC name of pyrrolidin-1-yl(4H-thieno[3,2-c]chromen-2-yl)methanone (CID 5309238) is pyrrolidin-1-yl(4H-thieno[3,2-c]chromen-2-yl)methanone.
What is the SMILES notation for pyrrolidin-1-yl(4H-thieno[3,2-c]chromen-2-yl)methanone?
The canonical SMILES for pyrrolidin-1-yl(4H-thieno[3,2-c]chromen-2-yl)methanone is O=C(c1cc2c(s1)-c1ccccc1OC2)N1CCCC1.
What is the InChIKey of pyrrolidin-1-yl(4H-thieno[3,2-c]chromen-2-yl)methanone?
The InChIKey is NMSVMZREQJGTQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO2S/c18-16(17-7-3-4-8-17)14-9-11-10-19-13-6-2-1-5-12(13)15(11)20-14/h1-2,5-6,9H,3-4,7-8,10H2.
What are the key properties of pyrrolidin-1-yl(4H-thieno[3,2-c]chromen-2-yl)methanone?
pyrrolidin-1-yl(4H-thieno[3,2-c]chromen-2-yl)methanone has a molecular weight of 285.37 g/mol, XLogP of 3.54, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for pyrrolidin-1-yl(4H-thieno[3,2-c]chromen-2-yl)methanone is sourced from PubChem (CID 5309238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).