1-(ethenyliminomethyl)-3-methylurea

C5H9N3O — CID 134172294

IUPAC1-(ethenyliminomethyl)-3-methylurea
SMILESC=C/N=C/NC(=O)NC
InChIInChI=1S/C5H9N3O/c1-3-7-4-8-5(9)6-2/h3-4H,1H2,2H3,(H2,6,7,8,9)
InChIKeyDIPJBXSAMFCKDO-UHFFFAOYSA-N
MW127.15 g/mol
LogP0.09
Rot. Bonds2

About 1-(ethenyliminomethyl)-3-methylurea

1-(ethenyliminomethyl)-3-methylurea (PubChem CID 134172294) has the molecular formula C5H9N3O and a molecular weight of 127.15 g/mol. Its IUPAC name is 1-(ethenyliminomethyl)-3-methylurea.

Molecular Properties

Compound Name1-(ethenyliminomethyl)-3-methylurea
PubChem CID134172294
Molecular FormulaC5H9N3O
Molecular Weight127.15 g/mol
Exact Mass127.07
IUPAC Name1-(ethenyliminomethyl)-3-methylurea
SMILESC=C/N=C/NC(=O)NC
InChIInChI=1S/C5H9N3O/c1-3-7-4-8-5(9)6-2/h3-4H,1H2,2H3,(H2,6,7,8,9)
InChIKeyDIPJBXSAMFCKDO-UHFFFAOYSA-N
XLogP0.09
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.15
LogP ≤ 50.09
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'}

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Frequently Asked Questions

What is the IUPAC name of 1-(ethenyliminomethyl)-3-methylurea?
The IUPAC name of 1-(ethenyliminomethyl)-3-methylurea (CID 134172294) is 1-(ethenyliminomethyl)-3-methylurea.
What is the SMILES notation for 1-(ethenyliminomethyl)-3-methylurea?
The canonical SMILES for 1-(ethenyliminomethyl)-3-methylurea is C=C/N=C/NC(=O)NC.
What is the InChIKey of 1-(ethenyliminomethyl)-3-methylurea?
The InChIKey is DIPJBXSAMFCKDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N3O/c1-3-7-4-8-5(9)6-2/h3-4H,1H2,2H3,(H2,6,7,8,9).
What are the key properties of 1-(ethenyliminomethyl)-3-methylurea?
1-(ethenyliminomethyl)-3-methylurea has a molecular weight of 127.15 g/mol, XLogP of 0.09, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(ethenyliminomethyl)-3-methylurea is sourced from PubChem (CID 134172294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).