4-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]-1,3-dihydroimidazol-2-one

C10H16N4O2 — CID 63263319

IUPAC4-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]-1,3-dihydroimidazol-2-one
SMILESCNCC1CCN(C(=O)c2c[nH]c(=O)[nH]2)C1
InChIInChI=1S/C10H16N4O2/c1-11-4-7-2-3-14(6-7)9(15)8-5-12-10(16)13-8/h5,7,11H,2-4,6H2,1H3,(H2,12,13,16)
InChIKeyOTJGSFGCCOILTQ-UHFFFAOYSA-N
MW224.26 g/mol
LogP-0.62
Rot. Bonds3

About 4-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]-1,3-dihydroimidazol-2-one

4-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]-1,3-dihydroimidazol-2-one (PubChem CID 63263319) has the molecular formula C10H16N4O2 and a molecular weight of 224.26 g/mol. Its IUPAC name is 4-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]-1,3-dihydroimidazol-2-one.

Molecular Properties

Compound Name4-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]-1,3-dihydroimidazol-2-one
PubChem CID63263319
Molecular FormulaC10H16N4O2
Molecular Weight224.26 g/mol
Exact Mass224.13
IUPAC Name4-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]-1,3-dihydroimidazol-2-one
SMILESCNCC1CCN(C(=O)c2c[nH]c(=O)[nH]2)C1
InChIInChI=1S/C10H16N4O2/c1-11-4-7-2-3-14(6-7)9(15)8-5-12-10(16)13-8/h5,7,11H,2-4,6H2,1H3,(H2,12,13,16)
InChIKeyOTJGSFGCCOILTQ-UHFFFAOYSA-N
XLogP-0.62
TPSA80.99 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 5-0.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]-1,3-dihydroimidazol-2-one?
The IUPAC name of 4-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]-1,3-dihydroimidazol-2-one (CID 63263319) is 4-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]-1,3-dihydroimidazol-2-one.
What is the SMILES notation for 4-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]-1,3-dihydroimidazol-2-one?
The canonical SMILES for 4-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]-1,3-dihydroimidazol-2-one is CNCC1CCN(C(=O)c2c[nH]c(=O)[nH]2)C1.
What is the InChIKey of 4-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]-1,3-dihydroimidazol-2-one?
The InChIKey is OTJGSFGCCOILTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O2/c1-11-4-7-2-3-14(6-7)9(15)8-5-12-10(16)13-8/h5,7,11H,2-4,6H2,1H3,(H2,12,13,16).
What are the key properties of 4-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]-1,3-dihydroimidazol-2-one?
4-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]-1,3-dihydroimidazol-2-one has a molecular weight of 224.26 g/mol, XLogP of -0.62, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]-1,3-dihydroimidazol-2-one is sourced from PubChem (CID 63263319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).