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

C9H14N4O2 — CID 62069433

IUPAC4-[3-(aminomethyl)pyrrolidine-1-carbonyl]-1,3-dihydroimidazol-2-one
SMILESNCC1CCN(C(=O)c2c[nH]c(=O)[nH]2)C1
InChIInChI=1S/C9H14N4O2/c10-3-6-1-2-13(5-6)8(14)7-4-11-9(15)12-7/h4,6H,1-3,5,10H2,(H2,11,12,15)
InChIKeyBPMSQCUEWWYKKV-UHFFFAOYSA-N
MW210.24 g/mol
LogP-0.88
Rot. Bonds2

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

4-[3-(aminomethyl)pyrrolidine-1-carbonyl]-1,3-dihydroimidazol-2-one (PubChem CID 62069433) has the molecular formula C9H14N4O2 and a molecular weight of 210.24 g/mol. Its IUPAC name is 4-[3-(aminomethyl)pyrrolidine-1-carbonyl]-1,3-dihydroimidazol-2-one.

Molecular Properties

Compound Name4-[3-(aminomethyl)pyrrolidine-1-carbonyl]-1,3-dihydroimidazol-2-one
PubChem CID62069433
Molecular FormulaC9H14N4O2
Molecular Weight210.24 g/mol
Exact Mass210.11
IUPAC Name4-[3-(aminomethyl)pyrrolidine-1-carbonyl]-1,3-dihydroimidazol-2-one
SMILESNCC1CCN(C(=O)c2c[nH]c(=O)[nH]2)C1
InChIInChI=1S/C9H14N4O2/c10-3-6-1-2-13(5-6)8(14)7-4-11-9(15)12-7/h4,6H,1-3,5,10H2,(H2,11,12,15)
InChIKeyBPMSQCUEWWYKKV-UHFFFAOYSA-N
XLogP-0.88
TPSA94.98 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 5-0.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(aminomethyl)pyrrolidine-1-carbonyl]-1,3-dihydroimidazol-2-one?
The IUPAC name of 4-[3-(aminomethyl)pyrrolidine-1-carbonyl]-1,3-dihydroimidazol-2-one (CID 62069433) is 4-[3-(aminomethyl)pyrrolidine-1-carbonyl]-1,3-dihydroimidazol-2-one.
What is the SMILES notation for 4-[3-(aminomethyl)pyrrolidine-1-carbonyl]-1,3-dihydroimidazol-2-one?
The canonical SMILES for 4-[3-(aminomethyl)pyrrolidine-1-carbonyl]-1,3-dihydroimidazol-2-one is NCC1CCN(C(=O)c2c[nH]c(=O)[nH]2)C1.
What is the InChIKey of 4-[3-(aminomethyl)pyrrolidine-1-carbonyl]-1,3-dihydroimidazol-2-one?
The InChIKey is BPMSQCUEWWYKKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O2/c10-3-6-1-2-13(5-6)8(14)7-4-11-9(15)12-7/h4,6H,1-3,5,10H2,(H2,11,12,15).
What are the key properties of 4-[3-(aminomethyl)pyrrolidine-1-carbonyl]-1,3-dihydroimidazol-2-one?
4-[3-(aminomethyl)pyrrolidine-1-carbonyl]-1,3-dihydroimidazol-2-one has a molecular weight of 210.24 g/mol, XLogP of -0.88, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(aminomethyl)pyrrolidine-1-carbonyl]-1,3-dihydroimidazol-2-one is sourced from PubChem (CID 62069433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).