[acetyl(prop-2-enoyl)amino]cyanamide

C6H7N3O2 — CID 102091759

IUPAC[acetyl(prop-2-enoyl)amino]cyanamide
SMILESC=CC(=O)N(NC#N)C(C)=O
InChIInChI=1S/C6H7N3O2/c1-3-6(11)9(5(2)10)8-4-7/h3,8H,1H2,2H3
InChIKeyQNHHFGVRYRMIID-UHFFFAOYSA-N
MW153.14 g/mol
LogP-0.47
Rot. Bonds2

About [acetyl(prop-2-enoyl)amino]cyanamide

[acetyl(prop-2-enoyl)amino]cyanamide (PubChem CID 102091759) has the molecular formula C6H7N3O2 and a molecular weight of 153.14 g/mol. Its IUPAC name is [acetyl(prop-2-enoyl)amino]cyanamide.

Molecular Properties

Compound Name[acetyl(prop-2-enoyl)amino]cyanamide
PubChem CID102091759
Molecular FormulaC6H7N3O2
Molecular Weight153.14 g/mol
Exact Mass153.05
IUPAC Name[acetyl(prop-2-enoyl)amino]cyanamide
SMILESC=CC(=O)N(NC#N)C(C)=O
InChIInChI=1S/C6H7N3O2/c1-3-6(11)9(5(2)10)8-4-7/h3,8H,1H2,2H3
InChIKeyQNHHFGVRYRMIID-UHFFFAOYSA-N
XLogP-0.47
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.14
LogP ≤ 5-0.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [acetyl(prop-2-enoyl)amino]cyanamide?
The IUPAC name of [acetyl(prop-2-enoyl)amino]cyanamide (CID 102091759) is [acetyl(prop-2-enoyl)amino]cyanamide.
What is the SMILES notation for [acetyl(prop-2-enoyl)amino]cyanamide?
The canonical SMILES for [acetyl(prop-2-enoyl)amino]cyanamide is C=CC(=O)N(NC#N)C(C)=O.
What is the InChIKey of [acetyl(prop-2-enoyl)amino]cyanamide?
The InChIKey is QNHHFGVRYRMIID-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N3O2/c1-3-6(11)9(5(2)10)8-4-7/h3,8H,1H2,2H3.
What are the key properties of [acetyl(prop-2-enoyl)amino]cyanamide?
[acetyl(prop-2-enoyl)amino]cyanamide has a molecular weight of 153.14 g/mol, XLogP of -0.47, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [acetyl(prop-2-enoyl)amino]cyanamide is sourced from PubChem (CID 102091759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).