1-(4-aminobutyl)-3-cyclopropylimidazol-2-one

C10H17N3O — CID 80579329

IUPAC1-(4-aminobutyl)-3-cyclopropylimidazol-2-one
SMILESNCCCCn1ccn(C2CC2)c1=O
InChIInChI=1S/C10H17N3O/c11-5-1-2-6-12-7-8-13(10(12)14)9-3-4-9/h7-9H,1-6,11H2
InChIKeyUSSOQRGHYJZLPI-UHFFFAOYSA-N
MW195.27 g/mol
LogP0.72
Rot. Bonds5

About 1-(4-aminobutyl)-3-cyclopropylimidazol-2-one

1-(4-aminobutyl)-3-cyclopropylimidazol-2-one (PubChem CID 80579329) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is 1-(4-aminobutyl)-3-cyclopropylimidazol-2-one.

Molecular Properties

Compound Name1-(4-aminobutyl)-3-cyclopropylimidazol-2-one
PubChem CID80579329
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name1-(4-aminobutyl)-3-cyclopropylimidazol-2-one
SMILESNCCCCn1ccn(C2CC2)c1=O
InChIInChI=1S/C10H17N3O/c11-5-1-2-6-12-7-8-13(10(12)14)9-3-4-9/h7-9H,1-6,11H2
InChIKeyUSSOQRGHYJZLPI-UHFFFAOYSA-N
XLogP0.72
TPSA52.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(4-aminobutyl)-3-cyclopropylimidazol-2-one?
The IUPAC name of 1-(4-aminobutyl)-3-cyclopropylimidazol-2-one (CID 80579329) is 1-(4-aminobutyl)-3-cyclopropylimidazol-2-one.
What is the SMILES notation for 1-(4-aminobutyl)-3-cyclopropylimidazol-2-one?
The canonical SMILES for 1-(4-aminobutyl)-3-cyclopropylimidazol-2-one is NCCCCn1ccn(C2CC2)c1=O.
What is the InChIKey of 1-(4-aminobutyl)-3-cyclopropylimidazol-2-one?
The InChIKey is USSOQRGHYJZLPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c11-5-1-2-6-12-7-8-13(10(12)14)9-3-4-9/h7-9H,1-6,11H2.
What are the key properties of 1-(4-aminobutyl)-3-cyclopropylimidazol-2-one?
1-(4-aminobutyl)-3-cyclopropylimidazol-2-one has a molecular weight of 195.27 g/mol, XLogP of 0.72, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminobutyl)-3-cyclopropylimidazol-2-one is sourced from PubChem (CID 80579329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).