1-(5-aminopentyl)-3-cyclopropylimidazol-2-one

C11H19N3O — CID 80579276

IUPAC1-(5-aminopentyl)-3-cyclopropylimidazol-2-one
SMILESNCCCCCn1ccn(C2CC2)c1=O
InChIInChI=1S/C11H19N3O/c12-6-2-1-3-7-13-8-9-14(11(13)15)10-4-5-10/h8-10H,1-7,12H2
InChIKeySCRDSVIFTJWTNG-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.11
Rot. Bonds6

About 1-(5-aminopentyl)-3-cyclopropylimidazol-2-one

1-(5-aminopentyl)-3-cyclopropylimidazol-2-one (PubChem CID 80579276) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 1-(5-aminopentyl)-3-cyclopropylimidazol-2-one.

Molecular Properties

Compound Name1-(5-aminopentyl)-3-cyclopropylimidazol-2-one
PubChem CID80579276
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name1-(5-aminopentyl)-3-cyclopropylimidazol-2-one
SMILESNCCCCCn1ccn(C2CC2)c1=O
InChIInChI=1S/C11H19N3O/c12-6-2-1-3-7-13-8-9-14(11(13)15)10-4-5-10/h8-10H,1-7,12H2
InChIKeySCRDSVIFTJWTNG-UHFFFAOYSA-N
XLogP1.11
TPSA52.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
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 ≤ 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-(5-aminopentyl)-3-cyclopropylimidazol-2-one?
The IUPAC name of 1-(5-aminopentyl)-3-cyclopropylimidazol-2-one (CID 80579276) is 1-(5-aminopentyl)-3-cyclopropylimidazol-2-one.
What is the SMILES notation for 1-(5-aminopentyl)-3-cyclopropylimidazol-2-one?
The canonical SMILES for 1-(5-aminopentyl)-3-cyclopropylimidazol-2-one is NCCCCCn1ccn(C2CC2)c1=O.
What is the InChIKey of 1-(5-aminopentyl)-3-cyclopropylimidazol-2-one?
The InChIKey is SCRDSVIFTJWTNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c12-6-2-1-3-7-13-8-9-14(11(13)15)10-4-5-10/h8-10H,1-7,12H2.
What are the key properties of 1-(5-aminopentyl)-3-cyclopropylimidazol-2-one?
1-(5-aminopentyl)-3-cyclopropylimidazol-2-one has a molecular weight of 209.29 g/mol, XLogP of 1.11, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-aminopentyl)-3-cyclopropylimidazol-2-one is sourced from PubChem (CID 80579276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).