2-(ethenyliminomethylamino)prop-2-enamide

C6H9N3O — CID 123270644

IUPAC2-(ethenyliminomethylamino)prop-2-enamide
SMILESC=C/N=C/NC(=C)C(N)=O
InChIInChI=1S/C6H9N3O/c1-3-8-4-9-5(2)6(7)10/h3-4H,1-2H2,(H2,7,10)(H,8,9)
InChIKeyXZBTULNWWBJFGS-UHFFFAOYSA-N
MW139.16 g/mol
LogP-0.25
Rot. Bonds4

About 2-(ethenyliminomethylamino)prop-2-enamide

2-(ethenyliminomethylamino)prop-2-enamide (PubChem CID 123270644) has the molecular formula C6H9N3O and a molecular weight of 139.16 g/mol. Its IUPAC name is 2-(ethenyliminomethylamino)prop-2-enamide.

Molecular Properties

Compound Name2-(ethenyliminomethylamino)prop-2-enamide
PubChem CID123270644
Molecular FormulaC6H9N3O
Molecular Weight139.16 g/mol
Exact Mass139.07
IUPAC Name2-(ethenyliminomethylamino)prop-2-enamide
SMILESC=C/N=C/NC(=C)C(N)=O
InChIInChI=1S/C6H9N3O/c1-3-8-4-9-5(2)6(7)10/h3-4H,1-2H2,(H2,7,10)(H,8,9)
InChIKeyXZBTULNWWBJFGS-UHFFFAOYSA-N
XLogP-0.25
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.16
LogP ≤ 5-0.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

5-Amino-3,4-dihydropyrimidin-4-one
CID 12455727
5-Methylidene-1,5-dihydro-4H-imidazol-4-one
CID 135710957
5-Aminopyrimidin-4-ol hydrochloride
CID 12455728
1,4-Dihydropyrimidine-6-carboxamide
CID 17961699
1H-1,3-diazepine-7-carboxamide
CID 69123250
3,3-Dimethylimidazol-3-ium-4-carboxamide
CID 87517663
N-methyl-2-(methyliminomethyliminomethylamino)prop-2-enamide
CID 90245600
2-(Ethyliminomethyliminomethylamino)prop-2-enamide
CID 90245982
5-(methylamino)-1H-pyrimidin-6-one
CID 118680579
N,N-dimethyl-2-(methyliminomethyliminomethylamino)prop-2-enamide
CID 118973235
5-amino-4-(ethenylamino)-1H-pyrimidin-6-one
CID 137148874
Ethane;5-(methylamino)pyrimidin-3-id-4-one;rubidium(1+)
CID 143722591

Frequently Asked Questions

What is the IUPAC name of 2-(ethenyliminomethylamino)prop-2-enamide?
The IUPAC name of 2-(ethenyliminomethylamino)prop-2-enamide (CID 123270644) is 2-(ethenyliminomethylamino)prop-2-enamide.
What is the SMILES notation for 2-(ethenyliminomethylamino)prop-2-enamide?
The canonical SMILES for 2-(ethenyliminomethylamino)prop-2-enamide is C=C/N=C/NC(=C)C(N)=O.
What is the InChIKey of 2-(ethenyliminomethylamino)prop-2-enamide?
The InChIKey is XZBTULNWWBJFGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O/c1-3-8-4-9-5(2)6(7)10/h3-4H,1-2H2,(H2,7,10)(H,8,9).
What are the key properties of 2-(ethenyliminomethylamino)prop-2-enamide?
2-(ethenyliminomethylamino)prop-2-enamide has a molecular weight of 139.16 g/mol, XLogP of -0.25, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethenyliminomethylamino)prop-2-enamide is sourced from PubChem (CID 123270644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).