3-(4-pyridin-2-ylphenyl)-1-pyrrolidin-1-ylpropan-1-one

C18H20N2O — CID 22027814

IUPAC3-(4-pyridin-2-ylphenyl)-1-pyrrolidin-1-ylpropan-1-one
SMILESO=C(CCc1ccc(-c2ccccn2)cc1)N1CCCC1
InChIInChI=1S/C18H20N2O/c21-18(20-13-3-4-14-20)11-8-15-6-9-16(10-7-15)17-5-1-2-12-19-17/h1-2,5-7,9-10,12H,3-4,8,11,13-14H2
InChIKeyMPDYYASLNWSTDV-UHFFFAOYSA-N
MW280.37 g/mol
LogP3.30
Rot. Bonds4

About 3-(4-pyridin-2-ylphenyl)-1-pyrrolidin-1-ylpropan-1-one

3-(4-pyridin-2-ylphenyl)-1-pyrrolidin-1-ylpropan-1-one (PubChem CID 22027814) has the molecular formula C18H20N2O and a molecular weight of 280.37 g/mol. Its IUPAC name is 3-(4-pyridin-2-ylphenyl)-1-pyrrolidin-1-ylpropan-1-one.

Molecular Properties

Compound Name3-(4-pyridin-2-ylphenyl)-1-pyrrolidin-1-ylpropan-1-one
PubChem CID22027814
Molecular FormulaC18H20N2O
Molecular Weight280.37 g/mol
Exact Mass280.16
IUPAC Name3-(4-pyridin-2-ylphenyl)-1-pyrrolidin-1-ylpropan-1-one
SMILESO=C(CCc1ccc(-c2ccccn2)cc1)N1CCCC1
InChIInChI=1S/C18H20N2O/c21-18(20-13-3-4-14-20)11-8-15-6-9-16(10-7-15)17-5-1-2-12-19-17/h1-2,5-7,9-10,12H,3-4,8,11,13-14H2
InChIKeyMPDYYASLNWSTDV-UHFFFAOYSA-N
XLogP3.30
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4-pyridin-2-ylphenyl)-1-pyrrolidin-1-ylpropan-1-one?
The IUPAC name of 3-(4-pyridin-2-ylphenyl)-1-pyrrolidin-1-ylpropan-1-one (CID 22027814) is 3-(4-pyridin-2-ylphenyl)-1-pyrrolidin-1-ylpropan-1-one.
What is the SMILES notation for 3-(4-pyridin-2-ylphenyl)-1-pyrrolidin-1-ylpropan-1-one?
The canonical SMILES for 3-(4-pyridin-2-ylphenyl)-1-pyrrolidin-1-ylpropan-1-one is O=C(CCc1ccc(-c2ccccn2)cc1)N1CCCC1.
What is the InChIKey of 3-(4-pyridin-2-ylphenyl)-1-pyrrolidin-1-ylpropan-1-one?
The InChIKey is MPDYYASLNWSTDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O/c21-18(20-13-3-4-14-20)11-8-15-6-9-16(10-7-15)17-5-1-2-12-19-17/h1-2,5-7,9-10,12H,3-4,8,11,13-14H2.
What are the key properties of 3-(4-pyridin-2-ylphenyl)-1-pyrrolidin-1-ylpropan-1-one?
3-(4-pyridin-2-ylphenyl)-1-pyrrolidin-1-ylpropan-1-one has a molecular weight of 280.37 g/mol, XLogP of 3.30, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-pyridin-2-ylphenyl)-1-pyrrolidin-1-ylpropan-1-one is sourced from PubChem (CID 22027814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).