2,5-dihydropyrrol-1-yl-[4-[(dipropylamino)methyl]phenyl]methanone

C18H26N2O — CID 50985068

IUPAC2,5-dihydropyrrol-1-yl-[4-[(dipropylamino)methyl]phenyl]methanone
SMILESCCCN(CCC)Cc1ccc(C(=O)N2CC=CC2)cc1
InChIInChI=1S/C18H26N2O/c1-3-11-19(12-4-2)15-16-7-9-17(10-8-16)18(21)20-13-5-6-14-20/h5-10H,3-4,11-15H2,1-2H3
InChIKeyORZLBEAUVMORMC-UHFFFAOYSA-N
MW286.42 g/mol
LogP3.32
Rot. Bonds7

About 2,5-dihydropyrrol-1-yl-[4-[(dipropylamino)methyl]phenyl]methanone

2,5-dihydropyrrol-1-yl-[4-[(dipropylamino)methyl]phenyl]methanone (PubChem CID 50985068) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is 2,5-dihydropyrrol-1-yl-[4-[(dipropylamino)methyl]phenyl]methanone.

Molecular Properties

Compound Name2,5-dihydropyrrol-1-yl-[4-[(dipropylamino)methyl]phenyl]methanone
PubChem CID50985068
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC Name2,5-dihydropyrrol-1-yl-[4-[(dipropylamino)methyl]phenyl]methanone
SMILESCCCN(CCC)Cc1ccc(C(=O)N2CC=CC2)cc1
InChIInChI=1S/C18H26N2O/c1-3-11-19(12-4-2)15-16-7-9-17(10-8-16)18(21)20-13-5-6-14-20/h5-10H,3-4,11-15H2,1-2H3
InChIKeyORZLBEAUVMORMC-UHFFFAOYSA-N
XLogP3.32
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2,5-dihydropyrrol-1-yl-[4-[(dipropylamino)methyl]phenyl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,5-dihydropyrrol-1-yl-[4-[(dipropylamino)methyl]phenyl]methanone?
The IUPAC name of 2,5-dihydropyrrol-1-yl-[4-[(dipropylamino)methyl]phenyl]methanone (CID 50985068) is 2,5-dihydropyrrol-1-yl-[4-[(dipropylamino)methyl]phenyl]methanone.
What is the SMILES notation for 2,5-dihydropyrrol-1-yl-[4-[(dipropylamino)methyl]phenyl]methanone?
The canonical SMILES for 2,5-dihydropyrrol-1-yl-[4-[(dipropylamino)methyl]phenyl]methanone is CCCN(CCC)Cc1ccc(C(=O)N2CC=CC2)cc1.
What is the InChIKey of 2,5-dihydropyrrol-1-yl-[4-[(dipropylamino)methyl]phenyl]methanone?
The InChIKey is ORZLBEAUVMORMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O/c1-3-11-19(12-4-2)15-16-7-9-17(10-8-16)18(21)20-13-5-6-14-20/h5-10H,3-4,11-15H2,1-2H3.
What are the key properties of 2,5-dihydropyrrol-1-yl-[4-[(dipropylamino)methyl]phenyl]methanone?
2,5-dihydropyrrol-1-yl-[4-[(dipropylamino)methyl]phenyl]methanone has a molecular weight of 286.42 g/mol, XLogP of 3.32, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dihydropyrrol-1-yl-[4-[(dipropylamino)methyl]phenyl]methanone is sourced from PubChem (CID 50985068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).