acetyl(amino)cyanamide

C3H5N3O — CID 6452580

IUPACacetyl(amino)cyanamide
SMILESCC(=O)N(N)C#N
InChIInChI=1S/C3H5N3O/c1-3(7)6(5)2-4/h5H2,1H3
InChIKeyUKUXRZAZXHZIIX-UHFFFAOYSA-N
MW99.09 g/mol
LogP-0.81
Rot. Bonds

About acetyl(amino)cyanamide

acetyl(amino)cyanamide (PubChem CID 6452580) has the molecular formula C3H5N3O and a molecular weight of 99.09 g/mol. Its IUPAC name is acetyl(amino)cyanamide.

Molecular Properties

Compound Nameacetyl(amino)cyanamide
PubChem CID6452580
Molecular FormulaC3H5N3O
Molecular Weight99.09 g/mol
Exact Mass99.04
IUPAC Nameacetyl(amino)cyanamide
SMILESCC(=O)N(N)C#N
InChIInChI=1S/C3H5N3O/c1-3(7)6(5)2-4/h5H2,1H3
InChIKeyUKUXRZAZXHZIIX-UHFFFAOYSA-N
XLogP-0.81
TPSA70.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50099.09
LogP ≤ 5-0.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N,N-dimethylacetamide;oxalonitrile
CID 174761763
amino(cyano)carbamodithioic acid
CID 57211782
azane;N,N-dimethylacetamide
CID 161145572
bis(acetonitrile);bis(propan-2-one)
CID 163880321
cyanic acid;propan-2-one
CID 141158454
N-[(Z)-4-[acetyl(cyano)amino]but-2-enyl]-N-cyanoacetamide
CID 86741084
O-ethyl N-acetyl-N-cyanocarbamothioate
CID 88770870
hydrazine;propan-2-one;dihydrate
CID 18407837
acetic acid;pentakis(acetonitrile)
CID 173433569
cyanamide;2-methylpropanoic acid
CID 172748410
N,N-dimethylacetamide;hexanedinitrile
CID 163600575
bis(acetonitrile);tetrakis(N,N-dimethylacetamide);nickel(2+);ditetrafluoroborate
CID 139055748

Frequently Asked Questions

What is the IUPAC name of acetyl(amino)cyanamide?
The IUPAC name of acetyl(amino)cyanamide (CID 6452580) is acetyl(amino)cyanamide.
What is the SMILES notation for acetyl(amino)cyanamide?
The canonical SMILES for acetyl(amino)cyanamide is CC(=O)N(N)C#N.
What is the InChIKey of acetyl(amino)cyanamide?
The InChIKey is UKUXRZAZXHZIIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5N3O/c1-3(7)6(5)2-4/h5H2,1H3.
What are the key properties of acetyl(amino)cyanamide?
acetyl(amino)cyanamide has a molecular weight of 99.09 g/mol, XLogP of -0.81, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for acetyl(amino)cyanamide is sourced from PubChem (CID 6452580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).