2-pyrrolidin-1-yl-1-[4-(1H-pyrrol-2-ylmethyl)phenyl]pentan-1-one

C20H26N2O — CID 11515772

IUPAC2-pyrrolidin-1-yl-1-[4-(1H-pyrrol-2-ylmethyl)phenyl]pentan-1-one
SMILESCCCC(C(=O)c1ccc(Cc2ccc[nH]2)cc1)N1CCCC1
InChIInChI=1S/C20H26N2O/c1-2-6-19(22-13-3-4-14-22)20(23)17-10-8-16(9-11-17)15-18-7-5-12-21-18/h5,7-12,19,21H,2-4,6,13-15H2,1H3
InChIKeyKSJDKRDZDFOILP-UHFFFAOYSA-N
MW310.44 g/mol
LogP4.05
Rot. Bonds7

About 2-pyrrolidin-1-yl-1-[4-(1H-pyrrol-2-ylmethyl)phenyl]pentan-1-one

2-pyrrolidin-1-yl-1-[4-(1H-pyrrol-2-ylmethyl)phenyl]pentan-1-one (PubChem CID 11515772) has the molecular formula C20H26N2O and a molecular weight of 310.44 g/mol. Its IUPAC name is 2-pyrrolidin-1-yl-1-[4-(1H-pyrrol-2-ylmethyl)phenyl]pentan-1-one.

Molecular Properties

Compound Name2-pyrrolidin-1-yl-1-[4-(1H-pyrrol-2-ylmethyl)phenyl]pentan-1-one
PubChem CID11515772
Molecular FormulaC20H26N2O
Molecular Weight310.44 g/mol
Exact Mass310.20
IUPAC Name2-pyrrolidin-1-yl-1-[4-(1H-pyrrol-2-ylmethyl)phenyl]pentan-1-one
SMILESCCCC(C(=O)c1ccc(Cc2ccc[nH]2)cc1)N1CCCC1
InChIInChI=1S/C20H26N2O/c1-2-6-19(22-13-3-4-14-22)20(23)17-10-8-16(9-11-17)15-18-7-5-12-21-18/h5,7-12,19,21H,2-4,6,13-15H2,1H3
InChIKeyKSJDKRDZDFOILP-UHFFFAOYSA-N
XLogP4.05
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-pyrrolidin-1-yl-1-[4-(1H-pyrrol-2-ylmethyl)phenyl]pentan-1-one?
The IUPAC name of 2-pyrrolidin-1-yl-1-[4-(1H-pyrrol-2-ylmethyl)phenyl]pentan-1-one (CID 11515772) is 2-pyrrolidin-1-yl-1-[4-(1H-pyrrol-2-ylmethyl)phenyl]pentan-1-one.
What is the SMILES notation for 2-pyrrolidin-1-yl-1-[4-(1H-pyrrol-2-ylmethyl)phenyl]pentan-1-one?
The canonical SMILES for 2-pyrrolidin-1-yl-1-[4-(1H-pyrrol-2-ylmethyl)phenyl]pentan-1-one is CCCC(C(=O)c1ccc(Cc2ccc[nH]2)cc1)N1CCCC1.
What is the InChIKey of 2-pyrrolidin-1-yl-1-[4-(1H-pyrrol-2-ylmethyl)phenyl]pentan-1-one?
The InChIKey is KSJDKRDZDFOILP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O/c1-2-6-19(22-13-3-4-14-22)20(23)17-10-8-16(9-11-17)15-18-7-5-12-21-18/h5,7-12,19,21H,2-4,6,13-15H2,1H3.
What are the key properties of 2-pyrrolidin-1-yl-1-[4-(1H-pyrrol-2-ylmethyl)phenyl]pentan-1-one?
2-pyrrolidin-1-yl-1-[4-(1H-pyrrol-2-ylmethyl)phenyl]pentan-1-one has a molecular weight of 310.44 g/mol, XLogP of 4.05, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrrolidin-1-yl-1-[4-(1H-pyrrol-2-ylmethyl)phenyl]pentan-1-one is sourced from PubChem (CID 11515772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).