3-(4-pyrrolidin-1-ylphenyl)chromen-4-one

C19H17NO2 — CID 53236084

IUPAC3-(4-pyrrolidin-1-ylphenyl)chromen-4-one
SMILESO=c1c(-c2ccc(N3CCCC3)cc2)coc2ccccc12
InChIInChI=1S/C19H17NO2/c21-19-16-5-1-2-6-18(16)22-13-17(19)14-7-9-15(10-8-14)20-11-3-4-12-20/h1-2,5-10,13H,3-4,11-12H2
InChIKeySSWRCTPOIBESLJ-UHFFFAOYSA-N
MW291.35 g/mol
LogP4.06
Rot. Bonds2

About 3-(4-pyrrolidin-1-ylphenyl)chromen-4-one

3-(4-pyrrolidin-1-ylphenyl)chromen-4-one (PubChem CID 53236084) has the molecular formula C19H17NO2 and a molecular weight of 291.35 g/mol. Its IUPAC name is 3-(4-pyrrolidin-1-ylphenyl)chromen-4-one.

Molecular Properties

Compound Name3-(4-pyrrolidin-1-ylphenyl)chromen-4-one
PubChem CID53236084
Molecular FormulaC19H17NO2
Molecular Weight291.35 g/mol
Exact Mass291.13
IUPAC Name3-(4-pyrrolidin-1-ylphenyl)chromen-4-one
SMILESO=c1c(-c2ccc(N3CCCC3)cc2)coc2ccccc12
InChIInChI=1S/C19H17NO2/c21-19-16-5-1-2-6-18(16)22-13-17(19)14-7-9-15(10-8-14)20-11-3-4-12-20/h1-2,5-10,13H,3-4,11-12H2
InChIKeySSWRCTPOIBESLJ-UHFFFAOYSA-N
XLogP4.06
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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ethane;3-phenylchromen-4-one
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1-(4-naphthalen-1-ylphenyl)pyrrolidine
CID 168512103
3-(cyclopenten-1-yl)chromen-4-one
CID 134986957
3-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]chromen-4-one
CID 59784658
1-[4-(2-methylphenyl)phenyl]pyrrolidine
CID 168512930
1-[4-(2-chlorophenyl)phenyl]piperidine
CID 175206648
3-piperazin-1-ylchromen-4-one
CID 142793533
3-(4-methylphenyl)-1-benzofuran
CID 11160085
3-(4-amino-2-fluorophenyl)chromen-4-one
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4-(1-benzofuran-3-yl)benzaldehyde
CID 21320302

Frequently Asked Questions

What is the IUPAC name of 3-(4-pyrrolidin-1-ylphenyl)chromen-4-one?
The IUPAC name of 3-(4-pyrrolidin-1-ylphenyl)chromen-4-one (CID 53236084) is 3-(4-pyrrolidin-1-ylphenyl)chromen-4-one.
What is the SMILES notation for 3-(4-pyrrolidin-1-ylphenyl)chromen-4-one?
The canonical SMILES for 3-(4-pyrrolidin-1-ylphenyl)chromen-4-one is O=c1c(-c2ccc(N3CCCC3)cc2)coc2ccccc12.
What is the InChIKey of 3-(4-pyrrolidin-1-ylphenyl)chromen-4-one?
The InChIKey is SSWRCTPOIBESLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO2/c21-19-16-5-1-2-6-18(16)22-13-17(19)14-7-9-15(10-8-14)20-11-3-4-12-20/h1-2,5-10,13H,3-4,11-12H2.
What are the key properties of 3-(4-pyrrolidin-1-ylphenyl)chromen-4-one?
3-(4-pyrrolidin-1-ylphenyl)chromen-4-one has a molecular weight of 291.35 g/mol, XLogP of 4.06, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-pyrrolidin-1-ylphenyl)chromen-4-one is sourced from PubChem (CID 53236084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).