2-[(ethylideneamino)methylideneamino]acetamide

C5H9N3O — CID 90245893

IUPAC2-[(ethylideneamino)methylideneamino]acetamide
SMILESC/C=N/C=N/CC(N)=O
InChIInChI=1S/C5H9N3O/c1-2-7-4-8-3-5(6)9/h2,4H,3H2,1H3,(H2,6,9)/b7-2+,8-4+
InChIKeySKMCXNMKUUJVQG-XJUTULCQSA-N
MW127.15 g/mol
LogP-0.41
Rot. Bonds3

About 2-[(ethylideneamino)methylideneamino]acetamide

2-[(ethylideneamino)methylideneamino]acetamide (PubChem CID 90245893) has the molecular formula C5H9N3O and a molecular weight of 127.15 g/mol. Its IUPAC name is 2-[(ethylideneamino)methylideneamino]acetamide.

Molecular Properties

Compound Name2-[(ethylideneamino)methylideneamino]acetamide
PubChem CID90245893
Molecular FormulaC5H9N3O
Molecular Weight127.15 g/mol
Exact Mass127.07
IUPAC Name2-[(ethylideneamino)methylideneamino]acetamide
SMILESC/C=N/C=N/CC(N)=O
InChIInChI=1S/C5H9N3O/c1-2-7-4-8-3-5(6)9/h2,4H,3H2,1H3,(H2,6,9)/b7-2+,8-4+
InChIKeySKMCXNMKUUJVQG-XJUTULCQSA-N
XLogP-0.41
TPSA67.81 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.15
LogP ≤ 5-0.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(ethylideneamino)methylideneamino]acetamide?
The IUPAC name of 2-[(ethylideneamino)methylideneamino]acetamide (CID 90245893) is 2-[(ethylideneamino)methylideneamino]acetamide.
What is the SMILES notation for 2-[(ethylideneamino)methylideneamino]acetamide?
The canonical SMILES for 2-[(ethylideneamino)methylideneamino]acetamide is C/C=N/C=N/CC(N)=O.
What is the InChIKey of 2-[(ethylideneamino)methylideneamino]acetamide?
The InChIKey is SKMCXNMKUUJVQG-XJUTULCQSA-N. The full InChI is InChI=1S/C5H9N3O/c1-2-7-4-8-3-5(6)9/h2,4H,3H2,1H3,(H2,6,9)/b7-2+,8-4+.
What are the key properties of 2-[(ethylideneamino)methylideneamino]acetamide?
2-[(ethylideneamino)methylideneamino]acetamide has a molecular weight of 127.15 g/mol, XLogP of -0.41, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(ethylideneamino)methylideneamino]acetamide is sourced from PubChem (CID 90245893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).