1-methylidene-3-[(Z)-prop-1-enyl]urea

C5H8N2O — CID 142847691

IUPAC1-methylidene-3-[(Z)-prop-1-enyl]urea
SMILESC=NC(=O)N/C=C\C
InChIInChI=1S/C5H8N2O/c1-3-4-7-5(8)6-2/h3-4H,2H2,1H3,(H,7,8)/b4-3-
InChIKeyZTPBHBYPWVFLGZ-ARJAWSKDSA-N
MW112.13 g/mol
LogP0.93
Rot. Bonds1

About 1-methylidene-3-[(Z)-prop-1-enyl]urea

1-methylidene-3-[(Z)-prop-1-enyl]urea (PubChem CID 142847691) has the molecular formula C5H8N2O and a molecular weight of 112.13 g/mol. Its IUPAC name is 1-methylidene-3-[(Z)-prop-1-enyl]urea.

Molecular Properties

Compound Name1-methylidene-3-[(Z)-prop-1-enyl]urea
PubChem CID142847691
Molecular FormulaC5H8N2O
Molecular Weight112.13 g/mol
Exact Mass112.06
IUPAC Name1-methylidene-3-[(Z)-prop-1-enyl]urea
SMILESC=NC(=O)N/C=C\C
InChIInChI=1S/C5H8N2O/c1-3-4-7-5(8)6-2/h3-4H,2H2,1H3,(H,7,8)/b4-3-
InChIKeyZTPBHBYPWVFLGZ-ARJAWSKDSA-N
XLogP0.93
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.13
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[(Z)-prop-1-enyl]acetamide
CID 5325885
N-[(Z)-prop-1-enyl]prop-2-enamide
CID 89246615
2-tert-butyl-1-methylidene-3-[(Z)-prop-1-enyl]guanidine
CID 166686738
2-(3,3-dimethylbutyl)-1-methylidene-3-[(Z)-prop-1-enyl]guanidine
CID 137429327
S-methyl N-[(E)-prop-1-enyl]carbamothioate
CID 142901647
2-methyl-N-prop-1-enylpropanamide
CID 74003978
(E)-2-methyl-N-[(E)-prop-1-enyl]but-2-enamide
CID 141238660
N'-methyl-2-oxo-N-[(Z)-prop-1-enyl]ethanimidamide
CID 126606016
1-ethyl-3-methylideneurea
CID 22063397
1-amino-3-methylideneurea
CID 21187130
N-[(E)-prop-1-enyl]pentanamide
CID 121306108
3,3-dimethyl-N-[(Z)-prop-1-enyl]butanamide
CID 11469197

Frequently Asked Questions

What is the IUPAC name of 1-methylidene-3-[(Z)-prop-1-enyl]urea?
The IUPAC name of 1-methylidene-3-[(Z)-prop-1-enyl]urea (CID 142847691) is 1-methylidene-3-[(Z)-prop-1-enyl]urea.
What is the SMILES notation for 1-methylidene-3-[(Z)-prop-1-enyl]urea?
The canonical SMILES for 1-methylidene-3-[(Z)-prop-1-enyl]urea is C=NC(=O)N/C=C\C.
What is the InChIKey of 1-methylidene-3-[(Z)-prop-1-enyl]urea?
The InChIKey is ZTPBHBYPWVFLGZ-ARJAWSKDSA-N. The full InChI is InChI=1S/C5H8N2O/c1-3-4-7-5(8)6-2/h3-4H,2H2,1H3,(H,7,8)/b4-3-.
What are the key properties of 1-methylidene-3-[(Z)-prop-1-enyl]urea?
1-methylidene-3-[(Z)-prop-1-enyl]urea has a molecular weight of 112.13 g/mol, XLogP of 0.93, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylidene-3-[(Z)-prop-1-enyl]urea is sourced from PubChem (CID 142847691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).