1-[2-[3-[2-(2-oxopyrrolidin-1-yl)ethylamino]propylamino]ethyl]pyrrolidin-2-one

C15H28N4O2 — CID 19837416

IUPAC1-[2-[3-[2-(2-oxopyrrolidin-1-yl)ethylamino]propylamino]ethyl]pyrrolidin-2-one
SMILESO=C1CCCN1CCNCCCNCCN1CCCC1=O
InChIInChI=1S/C15H28N4O2/c20-14-4-1-10-18(14)12-8-16-6-3-7-17-9-13-19-11-2-5-15(19)21/h16-17H,1-13H2
InChIKeyYSVQFSUMBRGMRK-UHFFFAOYSA-N
MW296.42 g/mol
LogP-0.20
Rot. Bonds10

About 1-[2-[3-[2-(2-oxopyrrolidin-1-yl)ethylamino]propylamino]ethyl]pyrrolidin-2-one

1-[2-[3-[2-(2-oxopyrrolidin-1-yl)ethylamino]propylamino]ethyl]pyrrolidin-2-one (PubChem CID 19837416) has the molecular formula C15H28N4O2 and a molecular weight of 296.42 g/mol. Its IUPAC name is 1-[2-[3-[2-(2-oxopyrrolidin-1-yl)ethylamino]propylamino]ethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-[3-[2-(2-oxopyrrolidin-1-yl)ethylamino]propylamino]ethyl]pyrrolidin-2-one
PubChem CID19837416
Molecular FormulaC15H28N4O2
Molecular Weight296.42 g/mol
Exact Mass296.22
IUPAC Name1-[2-[3-[2-(2-oxopyrrolidin-1-yl)ethylamino]propylamino]ethyl]pyrrolidin-2-one
SMILESO=C1CCCN1CCNCCCNCCN1CCCC1=O
InChIInChI=1S/C15H28N4O2/c20-14-4-1-10-18(14)12-8-16-6-3-7-17-9-13-19-11-2-5-15(19)21/h16-17H,1-13H2
InChIKeyYSVQFSUMBRGMRK-UHFFFAOYSA-N
XLogP-0.20
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.42
LogP ≤ 5-0.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[3-(2-methoxyethylamino)propyl]pyrrolidin-2-one
CID 60720084
1-[2-(ethylamino)ethyl]piperidin-2-one
CID 61387338
1-[2-(ethylamino)ethyl]azocan-2-one
CID 61386984
1-[2-[2-(4-methylpyrazol-1-yl)ethylamino]ethyl]pyrrolidin-2-one
CID 56780234
1-[3-(benzylamino)propyl]pyrrolidin-2-one;hydrochloride
CID 17211877
2-chloro-N-[2-(2-oxopyrrolidin-1-yl)ethyl]acetamide
CID 166506421
1-[2-(tert-butylamino)ethyl]azepan-2-one
CID 61387620
1-[3-(cyclopropylamino)propyl]pyrrolidin-2-one
CID 61387245
2-(2-oxopyrrolidin-1-yl)ethylazanium
CID 7446746
1-(2-silylethyl)pyrrolidin-2-one
CID 154480854
1-[3-(furan-3-ylmethylamino)propyl]pyrrolidin-2-one
CID 115606925
acetaldehyde;ethane;1-[2-(methylamino)ethyl]piperidin-2-one
CID 169185862

Frequently Asked Questions

What is the IUPAC name of 1-[2-[3-[2-(2-oxopyrrolidin-1-yl)ethylamino]propylamino]ethyl]pyrrolidin-2-one?
The IUPAC name of 1-[2-[3-[2-(2-oxopyrrolidin-1-yl)ethylamino]propylamino]ethyl]pyrrolidin-2-one (CID 19837416) is 1-[2-[3-[2-(2-oxopyrrolidin-1-yl)ethylamino]propylamino]ethyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-[3-[2-(2-oxopyrrolidin-1-yl)ethylamino]propylamino]ethyl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-[3-[2-(2-oxopyrrolidin-1-yl)ethylamino]propylamino]ethyl]pyrrolidin-2-one is O=C1CCCN1CCNCCCNCCN1CCCC1=O.
What is the InChIKey of 1-[2-[3-[2-(2-oxopyrrolidin-1-yl)ethylamino]propylamino]ethyl]pyrrolidin-2-one?
The InChIKey is YSVQFSUMBRGMRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4O2/c20-14-4-1-10-18(14)12-8-16-6-3-7-17-9-13-19-11-2-5-15(19)21/h16-17H,1-13H2.
What are the key properties of 1-[2-[3-[2-(2-oxopyrrolidin-1-yl)ethylamino]propylamino]ethyl]pyrrolidin-2-one?
1-[2-[3-[2-(2-oxopyrrolidin-1-yl)ethylamino]propylamino]ethyl]pyrrolidin-2-one has a molecular weight of 296.42 g/mol, XLogP of -0.20, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[3-[2-(2-oxopyrrolidin-1-yl)ethylamino]propylamino]ethyl]pyrrolidin-2-one is sourced from PubChem (CID 19837416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).