(3E)-3-(aminomethylidene)-1-methyl-1-[(Z)-prop-1-enyl]urea

C6H11N3O — CID 142034296

IUPAC(3E)-3-(aminomethylidene)-1-methyl-1-[(Z)-prop-1-enyl]urea
SMILESC/C=C\N(C)C(=O)/N=C/N
InChIInChI=1S/C6H11N3O/c1-3-4-9(2)6(10)8-5-7/h3-5H,1-2H3,(H2,7,8,10)/b4-3-
InChIKeyOSGSAVPEZXGFBA-ARJAWSKDSA-N
MW141.17 g/mol
LogP0.56
Rot. Bonds1

About (3E)-3-(aminomethylidene)-1-methyl-1-[(Z)-prop-1-enyl]urea

(3E)-3-(aminomethylidene)-1-methyl-1-[(Z)-prop-1-enyl]urea (PubChem CID 142034296) has the molecular formula C6H11N3O and a molecular weight of 141.17 g/mol. Its IUPAC name is (3E)-3-(aminomethylidene)-1-methyl-1-[(Z)-prop-1-enyl]urea.

Molecular Properties

Compound Name(3E)-3-(aminomethylidene)-1-methyl-1-[(Z)-prop-1-enyl]urea
PubChem CID142034296
Molecular FormulaC6H11N3O
Molecular Weight141.17 g/mol
Exact Mass141.09
IUPAC Name(3E)-3-(aminomethylidene)-1-methyl-1-[(Z)-prop-1-enyl]urea
SMILESC/C=C\N(C)C(=O)/N=C/N
InChIInChI=1S/C6H11N3O/c1-3-4-9(2)6(10)8-5-7/h3-5H,1-2H3,(H2,7,8,10)/b4-3-
InChIKeyOSGSAVPEZXGFBA-ARJAWSKDSA-N
XLogP0.56
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 (3E)-3-(aminomethylidene)-1-methyl-1-[(Z)-prop-1-enyl]urea?
The IUPAC name of (3E)-3-(aminomethylidene)-1-methyl-1-[(Z)-prop-1-enyl]urea (CID 142034296) is (3E)-3-(aminomethylidene)-1-methyl-1-[(Z)-prop-1-enyl]urea.
What is the SMILES notation for (3E)-3-(aminomethylidene)-1-methyl-1-[(Z)-prop-1-enyl]urea?
The canonical SMILES for (3E)-3-(aminomethylidene)-1-methyl-1-[(Z)-prop-1-enyl]urea is C/C=C\N(C)C(=O)/N=C/N.
What is the InChIKey of (3E)-3-(aminomethylidene)-1-methyl-1-[(Z)-prop-1-enyl]urea?
The InChIKey is OSGSAVPEZXGFBA-ARJAWSKDSA-N. The full InChI is InChI=1S/C6H11N3O/c1-3-4-9(2)6(10)8-5-7/h3-5H,1-2H3,(H2,7,8,10)/b4-3-.
What are the key properties of (3E)-3-(aminomethylidene)-1-methyl-1-[(Z)-prop-1-enyl]urea?
(3E)-3-(aminomethylidene)-1-methyl-1-[(Z)-prop-1-enyl]urea has a molecular weight of 141.17 g/mol, XLogP of 0.56, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-(aminomethylidene)-1-methyl-1-[(Z)-prop-1-enyl]urea is sourced from PubChem (CID 142034296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).