1-[2-[2-(methylaminomethyl)pyrrolidin-1-yl]ethyl]imidazolidin-2-one

C11H22N4O — CID 115316650

IUPAC1-[2-[2-(methylaminomethyl)pyrrolidin-1-yl]ethyl]imidazolidin-2-one
SMILESCNCC1CCCN1CCN1CCNC1=O
InChIInChI=1S/C11H22N4O/c1-12-9-10-3-2-5-14(10)7-8-15-6-4-13-11(15)16/h10,12H,2-9H2,1H3,(H,13,16)
InChIKeyKPYLAFIMITYLBJ-UHFFFAOYSA-N
MW226.32 g/mol
LogP-0.30
Rot. Bonds5

About 1-[2-[2-(methylaminomethyl)pyrrolidin-1-yl]ethyl]imidazolidin-2-one

1-[2-[2-(methylaminomethyl)pyrrolidin-1-yl]ethyl]imidazolidin-2-one (PubChem CID 115316650) has the molecular formula C11H22N4O and a molecular weight of 226.32 g/mol. Its IUPAC name is 1-[2-[2-(methylaminomethyl)pyrrolidin-1-yl]ethyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[2-[2-(methylaminomethyl)pyrrolidin-1-yl]ethyl]imidazolidin-2-one
PubChem CID115316650
Molecular FormulaC11H22N4O
Molecular Weight226.32 g/mol
Exact Mass226.18
IUPAC Name1-[2-[2-(methylaminomethyl)pyrrolidin-1-yl]ethyl]imidazolidin-2-one
SMILESCNCC1CCCN1CCN1CCNC1=O
InChIInChI=1S/C11H22N4O/c1-12-9-10-3-2-5-14(10)7-8-15-6-4-13-11(15)16/h10,12H,2-9H2,1H3,(H,13,16)
InChIKeyKPYLAFIMITYLBJ-UHFFFAOYSA-N
XLogP-0.30
TPSA47.61 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 5-0.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(methylaminomethyl)pyrrolidin-1-yl]ethyl]imidazolidin-2-one?
The IUPAC name of 1-[2-[2-(methylaminomethyl)pyrrolidin-1-yl]ethyl]imidazolidin-2-one (CID 115316650) is 1-[2-[2-(methylaminomethyl)pyrrolidin-1-yl]ethyl]imidazolidin-2-one.
What is the SMILES notation for 1-[2-[2-(methylaminomethyl)pyrrolidin-1-yl]ethyl]imidazolidin-2-one?
The canonical SMILES for 1-[2-[2-(methylaminomethyl)pyrrolidin-1-yl]ethyl]imidazolidin-2-one is CNCC1CCCN1CCN1CCNC1=O.
What is the InChIKey of 1-[2-[2-(methylaminomethyl)pyrrolidin-1-yl]ethyl]imidazolidin-2-one?
The InChIKey is KPYLAFIMITYLBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4O/c1-12-9-10-3-2-5-14(10)7-8-15-6-4-13-11(15)16/h10,12H,2-9H2,1H3,(H,13,16).
What are the key properties of 1-[2-[2-(methylaminomethyl)pyrrolidin-1-yl]ethyl]imidazolidin-2-one?
1-[2-[2-(methylaminomethyl)pyrrolidin-1-yl]ethyl]imidazolidin-2-one has a molecular weight of 226.32 g/mol, XLogP of -0.30, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(methylaminomethyl)pyrrolidin-1-yl]ethyl]imidazolidin-2-one is sourced from PubChem (CID 115316650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).