2-amino-5-butyl-5-cyclopropyl-3-methylimidazol-4-one

C11H19N3O — CID 45072289

IUPAC2-amino-5-butyl-5-cyclopropyl-3-methylimidazol-4-one
SMILESCCCCC1(C2CC2)N=C(N)N(C)C1=O
InChIInChI=1S/C11H19N3O/c1-3-4-7-11(8-5-6-8)9(15)14(2)10(12)13-11/h8H,3-7H2,1-2H3,(H2,12,13)
InChIKeyRZFGQNVQSFUQHK-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.11
Rot. Bonds4

About 2-amino-5-butyl-5-cyclopropyl-3-methylimidazol-4-one

2-amino-5-butyl-5-cyclopropyl-3-methylimidazol-4-one (PubChem CID 45072289) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 2-amino-5-butyl-5-cyclopropyl-3-methylimidazol-4-one.

Molecular Properties

Compound Name2-amino-5-butyl-5-cyclopropyl-3-methylimidazol-4-one
PubChem CID45072289
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name2-amino-5-butyl-5-cyclopropyl-3-methylimidazol-4-one
SMILESCCCCC1(C2CC2)N=C(N)N(C)C1=O
InChIInChI=1S/C11H19N3O/c1-3-4-7-11(8-5-6-8)9(15)14(2)10(12)13-11/h8H,3-7H2,1-2H3,(H2,12,13)
InChIKeyRZFGQNVQSFUQHK-UHFFFAOYSA-N
XLogP1.11
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-butyl-5-cyclopropyl-3-methylimidazol-4-one?
The IUPAC name of 2-amino-5-butyl-5-cyclopropyl-3-methylimidazol-4-one (CID 45072289) is 2-amino-5-butyl-5-cyclopropyl-3-methylimidazol-4-one.
What is the SMILES notation for 2-amino-5-butyl-5-cyclopropyl-3-methylimidazol-4-one?
The canonical SMILES for 2-amino-5-butyl-5-cyclopropyl-3-methylimidazol-4-one is CCCCC1(C2CC2)N=C(N)N(C)C1=O.
What is the InChIKey of 2-amino-5-butyl-5-cyclopropyl-3-methylimidazol-4-one?
The InChIKey is RZFGQNVQSFUQHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-3-4-7-11(8-5-6-8)9(15)14(2)10(12)13-11/h8H,3-7H2,1-2H3,(H2,12,13).
What are the key properties of 2-amino-5-butyl-5-cyclopropyl-3-methylimidazol-4-one?
2-amino-5-butyl-5-cyclopropyl-3-methylimidazol-4-one has a molecular weight of 209.29 g/mol, XLogP of 1.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-butyl-5-cyclopropyl-3-methylimidazol-4-one is sourced from PubChem (CID 45072289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).