butanamide;cyanocyanamide

C6H10N4O — CID 172764946

IUPACbutanamide;cyanocyanamide
SMILESCCCC(N)=O.N#CNC#N
InChIInChI=1S/C4H9NO.C2HN3/c1-2-3-4(5)6;3-1-5-2-4/h2-3H2,1H3,(H2,5,6);5H
InChIKeyMENJTZKDWLZZJG-UHFFFAOYSA-N
MW154.17 g/mol
LogP-0.19
Rot. Bonds2

About butanamide;cyanocyanamide

butanamide;cyanocyanamide (PubChem CID 172764946) has the molecular formula C6H10N4O and a molecular weight of 154.17 g/mol. Its IUPAC name is butanamide;cyanocyanamide.

Molecular Properties

Compound Namebutanamide;cyanocyanamide
PubChem CID172764946
Molecular FormulaC6H10N4O
Molecular Weight154.17 g/mol
Exact Mass154.09
IUPAC Namebutanamide;cyanocyanamide
SMILESCCCC(N)=O.N#CNC#N
InChIInChI=1S/C4H9NO.C2HN3/c1-2-3-4(5)6;3-1-5-2-4/h2-3H2,1H3,(H2,5,6);5H
InChIKeyMENJTZKDWLZZJG-UHFFFAOYSA-N
XLogP-0.19
TPSA102.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.17
LogP ≤ 5-0.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of butanamide;cyanocyanamide?
The IUPAC name of butanamide;cyanocyanamide (CID 172764946) is butanamide;cyanocyanamide.
What is the SMILES notation for butanamide;cyanocyanamide?
The canonical SMILES for butanamide;cyanocyanamide is CCCC(N)=O.N#CNC#N.
What is the InChIKey of butanamide;cyanocyanamide?
The InChIKey is MENJTZKDWLZZJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NO.C2HN3/c1-2-3-4(5)6;3-1-5-2-4/h2-3H2,1H3,(H2,5,6);5H.
What are the key properties of butanamide;cyanocyanamide?
butanamide;cyanocyanamide has a molecular weight of 154.17 g/mol, XLogP of -0.19, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for butanamide;cyanocyanamide is sourced from PubChem (CID 172764946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).