1-[[(E)-2-aminoethenyl]carbamoyl]-1,3-dimethylurea

C6H12N4O2 — CID 131233680

IUPAC1-[[(E)-2-aminoethenyl]carbamoyl]-1,3-dimethylurea
SMILESCNC(=O)N(C)C(=O)N/C=C/N
InChIInChI=1S/C6H12N4O2/c1-8-5(11)10(2)6(12)9-4-3-7/h3-4H,7H2,1-2H3,(H,8,11)(H,9,12)/b4-3+
InChIKeyDJXXZORGUUSOAO-ONEGZZNKSA-N
MW172.19 g/mol
LogP-0.60
Rot. Bonds1

About 1-[[(E)-2-aminoethenyl]carbamoyl]-1,3-dimethylurea

1-[[(E)-2-aminoethenyl]carbamoyl]-1,3-dimethylurea (PubChem CID 131233680) has the molecular formula C6H12N4O2 and a molecular weight of 172.19 g/mol. Its IUPAC name is 1-[[(E)-2-aminoethenyl]carbamoyl]-1,3-dimethylurea.

Molecular Properties

Compound Name1-[[(E)-2-aminoethenyl]carbamoyl]-1,3-dimethylurea
PubChem CID131233680
Molecular FormulaC6H12N4O2
Molecular Weight172.19 g/mol
Exact Mass172.10
IUPAC Name1-[[(E)-2-aminoethenyl]carbamoyl]-1,3-dimethylurea
SMILESCNC(=O)N(C)C(=O)N/C=C/N
InChIInChI=1S/C6H12N4O2/c1-8-5(11)10(2)6(12)9-4-3-7/h3-4H,7H2,1-2H3,(H,8,11)(H,9,12)/b4-3+
InChIKeyDJXXZORGUUSOAO-ONEGZZNKSA-N
XLogP-0.60
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.19
LogP ≤ 5-0.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[[(E)-2-aminoethenyl]carbamoyl]-1,3-dimethylurea?
The IUPAC name of 1-[[(E)-2-aminoethenyl]carbamoyl]-1,3-dimethylurea (CID 131233680) is 1-[[(E)-2-aminoethenyl]carbamoyl]-1,3-dimethylurea.
What is the SMILES notation for 1-[[(E)-2-aminoethenyl]carbamoyl]-1,3-dimethylurea?
The canonical SMILES for 1-[[(E)-2-aminoethenyl]carbamoyl]-1,3-dimethylurea is CNC(=O)N(C)C(=O)N/C=C/N.
What is the InChIKey of 1-[[(E)-2-aminoethenyl]carbamoyl]-1,3-dimethylurea?
The InChIKey is DJXXZORGUUSOAO-ONEGZZNKSA-N. The full InChI is InChI=1S/C6H12N4O2/c1-8-5(11)10(2)6(12)9-4-3-7/h3-4H,7H2,1-2H3,(H,8,11)(H,9,12)/b4-3+.
What are the key properties of 1-[[(E)-2-aminoethenyl]carbamoyl]-1,3-dimethylurea?
1-[[(E)-2-aminoethenyl]carbamoyl]-1,3-dimethylurea has a molecular weight of 172.19 g/mol, XLogP of -0.60, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(E)-2-aminoethenyl]carbamoyl]-1,3-dimethylurea is sourced from PubChem (CID 131233680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).