1-[4-(2-pyrrolidin-2-ylphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone

C17H22N2O — CID 150636588

IUPAC1-[4-(2-pyrrolidin-2-ylphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone
SMILESCC(=O)N1CC=C(c2ccccc2C2CCCN2)CC1
InChIInChI=1S/C17H22N2O/c1-13(20)19-11-8-14(9-12-19)15-5-2-3-6-16(15)17-7-4-10-18-17/h2-3,5-6,8,17-18H,4,7,9-12H2,1H3
InChIKeyIZAAEDUKZTYTIC-UHFFFAOYSA-N
MW270.38 g/mol
LogP2.75
Rot. Bonds2

About 1-[4-(2-pyrrolidin-2-ylphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone

1-[4-(2-pyrrolidin-2-ylphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone (PubChem CID 150636588) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is 1-[4-(2-pyrrolidin-2-ylphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(2-pyrrolidin-2-ylphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone
PubChem CID150636588
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC Name1-[4-(2-pyrrolidin-2-ylphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone
SMILESCC(=O)N1CC=C(c2ccccc2C2CCCN2)CC1
InChIInChI=1S/C17H22N2O/c1-13(20)19-11-8-14(9-12-19)15-5-2-3-6-16(15)17-7-4-10-18-17/h2-3,5-6,8,17-18H,4,7,9-12H2,1H3
InChIKeyIZAAEDUKZTYTIC-UHFFFAOYSA-N
XLogP2.75
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-pyrrolidin-2-ylphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone?
The IUPAC name of 1-[4-(2-pyrrolidin-2-ylphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone (CID 150636588) is 1-[4-(2-pyrrolidin-2-ylphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone.
What is the SMILES notation for 1-[4-(2-pyrrolidin-2-ylphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone?
The canonical SMILES for 1-[4-(2-pyrrolidin-2-ylphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone is CC(=O)N1CC=C(c2ccccc2C2CCCN2)CC1.
What is the InChIKey of 1-[4-(2-pyrrolidin-2-ylphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone?
The InChIKey is IZAAEDUKZTYTIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-13(20)19-11-8-14(9-12-19)15-5-2-3-6-16(15)17-7-4-10-18-17/h2-3,5-6,8,17-18H,4,7,9-12H2,1H3.
What are the key properties of 1-[4-(2-pyrrolidin-2-ylphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone?
1-[4-(2-pyrrolidin-2-ylphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone has a molecular weight of 270.38 g/mol, XLogP of 2.75, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-pyrrolidin-2-ylphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone is sourced from PubChem (CID 150636588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).