1-(3-azidopropyl)-3-propylimidazol-2-one

C9H15N5O — CID 80581966

IUPAC1-(3-azidopropyl)-3-propylimidazol-2-one
SMILESCCCn1ccn(CCCN=[N+]=[N-])c1=O
InChIInChI=1S/C9H15N5O/c1-2-5-13-7-8-14(9(13)15)6-3-4-11-12-10/h7-8H,2-6H2,1H3
InChIKeyCCBRWFGVJAGKTB-UHFFFAOYSA-N
MW209.25 g/mol
LogP1.76
Rot. Bonds6

About 1-(3-azidopropyl)-3-propylimidazol-2-one

1-(3-azidopropyl)-3-propylimidazol-2-one (PubChem CID 80581966) has the molecular formula C9H15N5O and a molecular weight of 209.25 g/mol. Its IUPAC name is 1-(3-azidopropyl)-3-propylimidazol-2-one.

Molecular Properties

Compound Name1-(3-azidopropyl)-3-propylimidazol-2-one
PubChem CID80581966
Molecular FormulaC9H15N5O
Molecular Weight209.25 g/mol
Exact Mass209.13
IUPAC Name1-(3-azidopropyl)-3-propylimidazol-2-one
SMILESCCCn1ccn(CCCN=[N+]=[N-])c1=O
InChIInChI=1S/C9H15N5O/c1-2-5-13-7-8-14(9(13)15)6-3-4-11-12-10/h7-8H,2-6H2,1H3
InChIKeyCCBRWFGVJAGKTB-UHFFFAOYSA-N
XLogP1.76
TPSA75.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(3-azidopropyl)-3-propylimidazol-2-one?
The IUPAC name of 1-(3-azidopropyl)-3-propylimidazol-2-one (CID 80581966) is 1-(3-azidopropyl)-3-propylimidazol-2-one.
What is the SMILES notation for 1-(3-azidopropyl)-3-propylimidazol-2-one?
The canonical SMILES for 1-(3-azidopropyl)-3-propylimidazol-2-one is CCCn1ccn(CCCN=[N+]=[N-])c1=O.
What is the InChIKey of 1-(3-azidopropyl)-3-propylimidazol-2-one?
The InChIKey is CCBRWFGVJAGKTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5O/c1-2-5-13-7-8-14(9(13)15)6-3-4-11-12-10/h7-8H,2-6H2,1H3.
What are the key properties of 1-(3-azidopropyl)-3-propylimidazol-2-one?
1-(3-azidopropyl)-3-propylimidazol-2-one has a molecular weight of 209.25 g/mol, XLogP of 1.76, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-azidopropyl)-3-propylimidazol-2-one is sourced from PubChem (CID 80581966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).