2,4-bis(2,5-dihydropyrrol-1-yl)pentan-3-one

C13H20N2O — CID 174729841

IUPAC2,4-bis(2,5-dihydropyrrol-1-yl)pentan-3-one
SMILESCC(C(=O)C(C)N1CC=CC1)N1CC=CC1
InChIInChI=1S/C13H20N2O/c1-11(14-7-3-4-8-14)13(16)12(2)15-9-5-6-10-15/h3-6,11-12H,7-10H2,1-2H3
InChIKeyQGRYLDGYXCPPLJ-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.08
Rot. Bonds4

About 2,4-bis(2,5-dihydropyrrol-1-yl)pentan-3-one

2,4-bis(2,5-dihydropyrrol-1-yl)pentan-3-one (PubChem CID 174729841) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 2,4-bis(2,5-dihydropyrrol-1-yl)pentan-3-one.

Molecular Properties

Compound Name2,4-bis(2,5-dihydropyrrol-1-yl)pentan-3-one
PubChem CID174729841
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name2,4-bis(2,5-dihydropyrrol-1-yl)pentan-3-one
SMILESCC(C(=O)C(C)N1CC=CC1)N1CC=CC1
InChIInChI=1S/C13H20N2O/c1-11(14-7-3-4-8-14)13(16)12(2)15-9-5-6-10-15/h3-6,11-12H,7-10H2,1-2H3
InChIKeyQGRYLDGYXCPPLJ-UHFFFAOYSA-N
XLogP1.08
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2,4-bis(2,5-dihydropyrrol-1-yl)pentan-3-one with MolForge

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

Launch Full Analysis

Related Compounds

2-(2,5-dihydropyrrol-1-yl)-3-methylbutanoic acid
CID 64681029
(2S)-2-(2,5-dihydropyrrole-1-carbonylamino)propanoic acid
CID 130680339
2,4-bis(4-morpholin-4-yl-3,6-dihydro-2H-pyridin-1-yl)pentan-3-one
CID 150203652
2,4-bis(4-phenylpiperidin-1-yl)pentan-3-one
CID 174394805
3-cyclopropyl-3-(2,5-dihydropyrrol-1-yl)propanoic acid
CID 82002613
2,4-bis[4-(2-aminoethyl)piperazin-1-yl]pentan-3-one
CID 151041941
(2R,4R)-2,4-bis[4-(2-aminopropyl)piperazin-1-yl]pentan-3-one
CID 151842926
(2R)-2-chloro-1-(3,6-dihydro-2H-pyridin-1-yl)propan-1-one
CID 93494142
5-amino-1-(3,6-dihydro-2H-pyridin-1-yl)hexan-1-one
CID 114409070
6-amino-1-(3,6-dihydro-2H-pyridin-1-yl)-4-methylhexan-1-one
CID 114408800
(2R)-2-amino-1-(3,6-dihydro-2H-pyridin-1-yl)-3-methylbutan-1-one
CID 104921204
2-(3,6-dihydro-2H-pyridin-1-yl)butanoic acid
CID 82364065

Frequently Asked Questions

What is the IUPAC name of 2,4-bis(2,5-dihydropyrrol-1-yl)pentan-3-one?
The IUPAC name of 2,4-bis(2,5-dihydropyrrol-1-yl)pentan-3-one (CID 174729841) is 2,4-bis(2,5-dihydropyrrol-1-yl)pentan-3-one.
What is the SMILES notation for 2,4-bis(2,5-dihydropyrrol-1-yl)pentan-3-one?
The canonical SMILES for 2,4-bis(2,5-dihydropyrrol-1-yl)pentan-3-one is CC(C(=O)C(C)N1CC=CC1)N1CC=CC1.
What is the InChIKey of 2,4-bis(2,5-dihydropyrrol-1-yl)pentan-3-one?
The InChIKey is QGRYLDGYXCPPLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-11(14-7-3-4-8-14)13(16)12(2)15-9-5-6-10-15/h3-6,11-12H,7-10H2,1-2H3.
What are the key properties of 2,4-bis(2,5-dihydropyrrol-1-yl)pentan-3-one?
2,4-bis(2,5-dihydropyrrol-1-yl)pentan-3-one has a molecular weight of 220.32 g/mol, XLogP of 1.08, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis(2,5-dihydropyrrol-1-yl)pentan-3-one is sourced from PubChem (CID 174729841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).