2-(azocin-4-yl)acetamide

C9H10N2O — CID 175781969

IUPAC2-(azocin-4-yl)acetamide
SMILESNC(=O)CC1=C/C=N\C=CC=C1
InChIInChI=1S/C9H10N2O/c10-9(12)7-8-3-1-2-5-11-6-4-8/h1-6H,7H2,(H2,10,12)/b2-1?,3-1?,5-2?,6-4?,8-3?,8-4?,11-5?,11-6-
InChIKeyGZNCDZZQVHCZFT-GEPLUBEQSA-N
MW162.19 g/mol
LogP0.94
Rot. Bonds2

About 2-(azocin-4-yl)acetamide

2-(azocin-4-yl)acetamide (PubChem CID 175781969) has the molecular formula C9H10N2O and a molecular weight of 162.19 g/mol. Its IUPAC name is 2-(azocin-4-yl)acetamide.

Molecular Properties

Compound Name2-(azocin-4-yl)acetamide
PubChem CID175781969
Molecular FormulaC9H10N2O
Molecular Weight162.19 g/mol
Exact Mass162.08
IUPAC Name2-(azocin-4-yl)acetamide
SMILESNC(=O)CC1=C/C=N\C=CC=C1
InChIInChI=1S/C9H10N2O/c10-9(12)7-8-3-1-2-5-11-6-4-8/h1-6H,7H2,(H2,10,12)/b2-1?,3-1?,5-2?,6-4?,8-3?,8-4?,11-5?,11-6-
InChIKeyGZNCDZZQVHCZFT-GEPLUBEQSA-N
XLogP0.94
TPSA55.45 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.19
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(azocin-4-yl)acetamide?
The IUPAC name of 2-(azocin-4-yl)acetamide (CID 175781969) is 2-(azocin-4-yl)acetamide.
What is the SMILES notation for 2-(azocin-4-yl)acetamide?
The canonical SMILES for 2-(azocin-4-yl)acetamide is NC(=O)CC1=C/C=N\C=CC=C1.
What is the InChIKey of 2-(azocin-4-yl)acetamide?
The InChIKey is GZNCDZZQVHCZFT-GEPLUBEQSA-N. The full InChI is InChI=1S/C9H10N2O/c10-9(12)7-8-3-1-2-5-11-6-4-8/h1-6H,7H2,(H2,10,12)/b2-1?,3-1?,5-2?,6-4?,8-3?,8-4?,11-5?,11-6-.
What are the key properties of 2-(azocin-4-yl)acetamide?
2-(azocin-4-yl)acetamide has a molecular weight of 162.19 g/mol, XLogP of 0.94, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azocin-4-yl)acetamide is sourced from PubChem (CID 175781969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).