2-azido-N-(cyclopenta-2,4-dien-1-ylmethyl)acetamide

C8H10N4O — CID 90448356

IUPAC2-azido-N-(cyclopenta-2,4-dien-1-ylmethyl)acetamide
SMILES[N-]=[N+]=NCC(=O)NCC1C=CC=C1
InChIInChI=1S/C8H10N4O/c9-12-11-6-8(13)10-5-7-3-1-2-4-7/h1-4,7H,5-6H2,(H,10,13)
InChIKeyUWZCNQIMRLIARE-UHFFFAOYSA-N
MW178.19 g/mol
LogP1.16
Rot. Bonds4

About 2-azido-N-(cyclopenta-2,4-dien-1-ylmethyl)acetamide

2-azido-N-(cyclopenta-2,4-dien-1-ylmethyl)acetamide (PubChem CID 90448356) has the molecular formula C8H10N4O and a molecular weight of 178.19 g/mol. Its IUPAC name is 2-azido-N-(cyclopenta-2,4-dien-1-ylmethyl)acetamide.

Molecular Properties

Compound Name2-azido-N-(cyclopenta-2,4-dien-1-ylmethyl)acetamide
PubChem CID90448356
Molecular FormulaC8H10N4O
Molecular Weight178.19 g/mol
Exact Mass178.09
IUPAC Name2-azido-N-(cyclopenta-2,4-dien-1-ylmethyl)acetamide
SMILES[N-]=[N+]=NCC(=O)NCC1C=CC=C1
InChIInChI=1S/C8H10N4O/c9-12-11-6-8(13)10-5-7-3-1-2-4-7/h1-4,7H,5-6H2,(H,10,13)
InChIKeyUWZCNQIMRLIARE-UHFFFAOYSA-N
XLogP1.16
TPSA77.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.19
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', '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 2-azido-N-(cyclopenta-2,4-dien-1-ylmethyl)acetamide?
The IUPAC name of 2-azido-N-(cyclopenta-2,4-dien-1-ylmethyl)acetamide (CID 90448356) is 2-azido-N-(cyclopenta-2,4-dien-1-ylmethyl)acetamide.
What is the SMILES notation for 2-azido-N-(cyclopenta-2,4-dien-1-ylmethyl)acetamide?
The canonical SMILES for 2-azido-N-(cyclopenta-2,4-dien-1-ylmethyl)acetamide is [N-]=[N+]=NCC(=O)NCC1C=CC=C1.
What is the InChIKey of 2-azido-N-(cyclopenta-2,4-dien-1-ylmethyl)acetamide?
The InChIKey is UWZCNQIMRLIARE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4O/c9-12-11-6-8(13)10-5-7-3-1-2-4-7/h1-4,7H,5-6H2,(H,10,13).
What are the key properties of 2-azido-N-(cyclopenta-2,4-dien-1-ylmethyl)acetamide?
2-azido-N-(cyclopenta-2,4-dien-1-ylmethyl)acetamide has a molecular weight of 178.19 g/mol, XLogP of 1.16, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azido-N-(cyclopenta-2,4-dien-1-ylmethyl)acetamide is sourced from PubChem (CID 90448356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).